smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)n(C)c1=O 765726341 ABKLVPXSQJDWQW-UHFFFAOYSA-N 440.338 -0.207 50 10 IBGE Cn1cc(I)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 1142193189 JQOAAFMKQVPJSE-LURJTMIESA-N 427.224 -0.844 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(CN(C)C)CC3)CC2)cc1 1149621902 FXIJTXXWDKZYAV-UHFFFAOYSA-N 437.566 -0.209 50 10 IBGE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B(O)O)[nH]s2)CCN(Cc2ccccc2)C1 2248434094 UJXDJZMRLNWIFJ-LJQANCHMSA-N 447.326 -0.252 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CC(=O)NNC(=O)C3CC3)CC2)CC1 1620434863 HILNYIRSMXLVJA-UHFFFAOYSA-N 438.529 -0.166 50 10 IBGE C[C@@H]1CCN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1685507063 UXTQNQCRCRCDFV-OAHLLOKOSA-N 439.538 -0.007 50 10 IBGE Cn1cc(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)c(=O)n(C)c1=O 2196122496 OUDWXEGXURVXPR-RNFRBKRXSA-N 431.106 -0.385 50 10 IBGE C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NNC(=O)[C@@H]1COCCO1 745998320 JGMODSWFZXNVAS-SKDRFNHKSA-N 431.243 -0.007 50 10 IBGE CN1CC(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc21 1137882085 KXZSFCCHPQQURU-UHFFFAOYSA-N 432.300 -0.090 50 10 IBGE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)Cc1ccncc1 1435397399 UNRDFBKIPSKEQH-UHFFFAOYSA-N 425.488 -0.096 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nnc2n1CCNC2=O 1683738505 VFFAFPRRJQIZTE-UHFFFAOYSA-N 441.496 -0.936 50 10 IBGE CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@H](O)[C@H]2O)N(C)C1 725389062 XSLGFIQRVCXUEU-USSNUKEASA-N 440.990 -0.595 50 10 IBGE COc1nc(N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)ncc1Br 751148324 UAGDFPOLBRJBRA-NSHDSACASA-N 445.274 -0.474 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)Cc2ccsc2B(O)O)CC1 2282738555 WLWVLPVKLZETRD-UHFFFAOYSA-N 438.358 -0.024 50 10 IBGE O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1OCC[C@H]1c1ccccc1 790324822 ZSTVXUOHKQELDP-CBZIJGRNSA-N 435.502 -0.258 50 10 IBGE O=C(NCCO[C@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1479414106 UNNWEAVKOBQNMO-HNNXBMFYSA-N 442.494 -0.543 50 10 IBGE Cc1nc(B(O)O)c(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)n1C 2362570195 VJGVEPOWJNDYLB-LBPRGKRZSA-N 428.176 -0.005 50 10 IBGE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1 1298846130 INFKAQNCVFEYMK-UHFFFAOYSA-N 436.320 -0.012 50 10 IBGE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)CN3CCCC3=O)n(C)c2)C1 1557977579 GYTSKISMMKKCJQ-ZDUSSCGKSA-N 425.511 -0.171 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1626125822 OOHOBAXSACFMRW-UHFFFAOYSA-N 429.474 -0.552 50 10 IBGE CC(C)N1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H](c2cnn(C)c2)C1 1631030352 VDWXUBFMKKOYMI-OWCLPIDISA-N 426.543 -0.249 50 10 IBGE O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1OCC[C@H]1c1ccccc1 790324823 ZSTVXUOHKQELDP-CVYDXHPNSA-N 435.502 -0.258 50 10 IBGE CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@H]([S@](C)=O)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1 725389056 XSLGFIQRVCXUEU-GTRRVIEUSA-N 440.990 -0.595 50 10 IBGE O=C(NNc1ncc(Br)cn1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1143668973 JEASILCJJYBDPX-VIFPVBQESA-N 431.272 -0.152 50 10 IBGE O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 763279749 MBYRBNXQFLYQKS-UHFFFAOYSA-N 429.501 -0.183 50 10 IBGE Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726779 FWXADENJSONCGL-UHFFFAOYSA-N 444.496 -0.707 50 10 IBGE CC1=NN(c2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CC1 766638685 IFAOKHGRBIQDIH-UHFFFAOYSA-N 438.448 -0.519 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ncc(B(O)O)cn2)C1 2255777116 XCKIYJUNPJSJAB-UHFFFAOYSA-N 442.281 -0.219 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cc2ccccc2O)c1 1149268644 HLHQISSPKQBRCM-UHFFFAOYSA-N 436.490 -0.026 50 10 IBGE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)Cc1ccsc1B(O)O 2267379876 WQHIFQGIGAZGIL-RUZDIDTESA-N 426.347 -0.120 50 10 IBGE Cc1cc(F)cc2[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 766641956 DRKADTNWCPMWIC-UHFFFAOYSA-N 427.396 -0.176 50 10 IBGE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 1351202560 XGOOAYVLQXXTDS-CQSZACIVSA-N 431.536 -0.346 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(N3CCOCC3)ncn2)c1 1440441207 XEHPOXVZVOJWMN-UHFFFAOYSA-N 434.478 -0.362 50 10 IBGE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=S)N[C@@H](C)C2CC2)s1 1452630630 YITCVWAJBIRRSH-VIFPVBQESA-N 433.581 -0.044 50 10 IBGE CNC(=O)C1=c2s/c(=C/C(=O)OC)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 199503473 OIETWOPVQBCWNK-XETPBLJFSA-N 426.454 -0.783 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1COCCO1 746003341 POUSHBHFEYBROM-ZDUSSCGKSA-N 432.886 -0.198 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)n(C)c1=O 765121600 BEXWMBSUJVAWEB-UHFFFAOYSA-N 444.832 -0.764 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cnc3ccccc3c2)n(C)c1=O 792236605 ADQLEVSCTUQGMX-UHFFFAOYSA-N 435.444 -0.238 50 10 IBGE COC[C@@H](OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1350242382 ARMGUJMTLCFQJS-MRXNPFEDSA-N 429.495 -0.551 50 10 IBGE O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCc2nncn2C1 816884536 BLJFEDRLTRGVQS-OCCSQVGLSA-N 426.433 -0.188 50 10 IBGE NC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 1338057657 RHRITOVHRAQOAI-UHFFFAOYSA-N 426.314 -0.226 50 10 IBGE CC1=NS(=O)(=O)N(C)C=C1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1465791644 JHXUHGYXFRVING-UHFFFAOYSA-N 448.549 -0.205 50 10 IBGE CC(C)COc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765724002 GVIFABIIVKKTQA-UHFFFAOYSA-N 428.449 -0.070 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1B(O)O 2108232881 BURIMUFPFZSLTN-QGZVFWFLSA-N 440.283 -0.128 50 10 IBGE COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2c1O[C@@H](C)C2 765721598 DWWOKGDRGYSUNN-JTQLQIEISA-N 442.432 -0.773 50 10 IBGE CO[C@@]1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCS(=O)(=O)C1 1355622316 WGOIYRCOYWYJDL-KRWDZBQOSA-N 445.519 -0.564 50 10 IBGE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)NNC(=O)[C@H]1COCCO1 745999474 YJKBVYTUTRVIPD-QGZVFWFLSA-N 435.481 -0.060 50 10 IBGE COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)cc1 1293117499 YRFJNRWNRHUQGD-UHFFFAOYSA-N 429.257 -0.298 50 10 IBGE CN(Cc1ccccc1)C[C@H](NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(=O)O 2284408419 WNUQHJDWQKXCFX-LBPRGKRZSA-N 432.716 -0.055 50 10 IBGE CCON(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1312961656 WDNLPUFGUVHZDE-UHFFFAOYSA-N 427.483 -0.175 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2cncc(B(O)O)c2)C1 2282718846 CVWVIBXZQDWEAV-INIZCTEOSA-N 435.267 -0.923 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1294209001 PADZKPZUPRWSMU-STQMWFEESA-N 447.535 -0.150 50 10 IBGE C[C@@H]1CCN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1313367758 BMEDKDDZBRLYEI-OAHLLOKOSA-N 425.559 -0.014 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(C(F)(F)CO)nn1 1622153849 WQPIZCNHBVORPF-UHFFFAOYSA-N 437.407 -0.961 50 10 IBGE COCC1(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CN(C(=O)OC(C)(C)C)C1 2282357562 LMPFJXXZFGEALP-UHFFFAOYSA-N 440.736 -0.005 50 10 IBGE Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)cn2C)cn1C 750602957 YWOVNQOUJOLQFT-UHFFFAOYSA-N 433.288 -0.431 50 10 IBGE O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764166071 FKINDPQZTYPPFR-UHFFFAOYSA-N 430.465 -0.230 50 10 IBGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B(O)O)n[nH]1 2247783143 AFZALIIQCJGKGE-UHFFFAOYSA-N 441.294 -0.419 50 10 IBGE Cn1nnc(B(O)O)c1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2255512369 YNPJLMFHSPRMQU-UHFFFAOYSA-N 445.285 -0.881 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282727107 WJHIIMAKUYYQFD-NXEZZACHSA-N 440.736 -0.270 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN(CC(F)F)C3)nc2)CC1 1478844250 MJEZCBZYJZKRJJ-ZDUSSCGKSA-N 447.512 -0.017 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2nnc(S)n2C)cc1 1674005429 PEXQZXMPZFFJII-UHFFFAOYSA-N 441.539 -0.394 50 10 IBGE CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCc3ccco3)CC2)CC1 748334237 NWZMEERKGAUUGS-UHFFFAOYSA-N 428.515 -0.937 50 10 IBGE CNC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1C 771605609 AZAXNJBIZIKMDM-UHFFFAOYSA-N 427.870 -0.336 50 10 IBGE Cn1cc(C[C@H](O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 787125103 CWRBOBJVALJEGF-SFHVURJKSA-N 434.928 -0.058 50 10 IBGE O=C(CN1CCCCC(=O)C1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1351932245 QBHXLTMKGALNTB-UHFFFAOYSA-N 436.490 -0.186 50 10 IBGE O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1596923769 TXXOYZQUQZLDFS-ZWKOTPCHSA-N 437.541 -0.900 50 10 IBGE Cn1ncc(I)c1CNC(=O)NNC(=O)CNC(=O)c1ccco1 1637927650 HOHQHJIBXNHLKY-UHFFFAOYSA-N 446.205 -0.122 50 10 IBGE CC[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H](C)O 1641363487 ICEMBNBCZCHWKI-DOTOQJQBSA-N 426.539 -0.144 50 10 IBGE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1=O 1131722729 HUACDSKXKHYRPN-DIFFPNOSSA-N 425.804 -0.328 50 10 IBGE CC(=O)NS(=O)(=O)c1ccc(N/N=C2\C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C2C)cc1 12412635 PUTAZHZCMIEFFD-HCNBXMNPSA-N 433.446 -0.131 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 794069544 IXACEKQXXYRGNL-DFEHZGFQSA-N 426.429 -0.133 50 10 IBGE O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)C1CC2(C1)CS(=O)(=O)C2 1293967458 RPHSEMSBZAFIMD-UHFFFAOYSA-N 429.520 -0.025 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c(C)cnn3C)CC2)cc1 1465789898 BIOIEFBKNRFWAI-UHFFFAOYSA-N 434.522 -0.196 50 10 IBGE CC1=C(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)S(=O)(=O)CCO1 1629793454 RZCNSJIEQXFTRG-UHFFFAOYSA-N 436.490 -0.732 50 10 IBGE CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1640515941 STUKGDMZIZSSGK-INIZCTEOSA-N 439.557 -0.210 50 10 IBGE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1 1644012827 BDFWIUMBZXMRDC-UHFFFAOYSA-N 444.583 -0.096 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2cccc(B(O)O)c2)C1 2282093968 JLFKQGRYJMWFQW-KRWDZBQOSA-N 434.279 -0.318 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccn(-c3cccc(F)c3)n2)n(C)c1=O 765721512 BXPPJYHDHJTLLD-UHFFFAOYSA-N 440.395 -0.780 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1135649924 YRXRBPFBKJGESS-SOUVJXGZSA-N 448.611 -0.030 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@](C)(O)Cn3ccccc3=O)CC2)cc1 790891679 RSUSCUZLGXMTAO-QHCPKHFHSA-N 441.532 -0.127 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(F)(F)c2cc(F)cc(F)c2)n(C)c1=O 1465790756 SYTQKEURLSQTLP-UHFFFAOYSA-N 442.329 -0.349 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2sccc2B(O)O)C1 2267610492 FXSMOZHPUHIFTG-AWEZNQCLSA-N 440.308 -0.256 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267618984 LGZUSZKWBIXPLS-BDAKNGLRSA-N 426.709 -0.660 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2cccc(B(O)O)c2)C1 2282093969 JLFKQGRYJMWFQW-QGZVFWFLSA-N 434.279 -0.318 50 10 IBGE CCCC(=O)NCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 917387904 QJDJGDNPGDQRDR-UHFFFAOYSA-N 440.522 -0.296 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cc(B(O)O)ccc1F 1566281779 YPHANIDYHDUSFX-UHFFFAOYSA-N 448.691 -0.262 50 10 IBGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 765723439 ATIGKQVIGIUOKG-UHFFFAOYSA-N 448.867 -0.124 50 10 IBGE Cc1cc(CC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n[nH]1 1143265567 JAJAWHJIAPBLEI-UHFFFAOYSA-N 425.442 -0.118 50 10 IBGE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NNC(=O)[C@@H]1COCCO1)N2C(=O)OC(C)(C)C 1545111625 YJOZIJPMWVEVFW-HTVCTNPSSA-N 427.454 -0.264 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3ccncn3)CC2)cc1 1545423856 CYGCYLIQSBCMJQ-DAXSKMNVSA-N 444.517 -0.048 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1C 746004106 UHXQFVJAZMCKQN-MRXNPFEDSA-N 426.495 -0.234 50 10 IBGE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 1301697220 KRGOBPXLKLHJIT-MARXPDLDSA-N 449.576 -0.110 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H](C)N1CCN(C)CC1 1313427406 HTSDWNADNSBWSI-ZDUSSCGKSA-N 425.559 -0.132 50 10 IBGE O=C(Cn1nc(Br)c(Br)n1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1463790500 DNZNSJVYAVJGEX-YFKPBYRVSA-N 445.093 -0.615 50 10 IBGE CO[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCOC1 1252899658 HIALZUZDTQJRKD-ZBFHGGJFSA-N 442.542 -0.305 50 10 IBGE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(B(O)O)ccc4F)CC3)C2=O)n(C)n1 1296285575 BURSXOZYLMYCET-GOSISDBHSA-N 443.288 -0.499 50 10 IBGE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1350714236 ATQLVZSEQYAHPI-CQSZACIVSA-N 427.527 -0.248 50 10 IBGE O=C(N[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B(O)O)C1)OCc1ccccc1 2255760573 SKFXRZASFCPMHI-BETUJISGSA-N 425.297 -0.300 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 1461151499 UHUOUYJVSGOSIE-OCCSQVGLSA-N 427.479 -0.098 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1Br 1587113107 AZRJQYLPYXWLLT-JTQLQIEISA-N 433.284 -0.261 50 10 IBGE O=C(c1ccc(B(O)O)cc1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1598251388 MVYMIDSSBOYLCW-UHFFFAOYSA-N 446.290 -0.326 50 10 IBGE CO[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 1672938087 GKQDEYJRLUMNGK-ZBFHGGJFSA-N 428.511 -0.003 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1cncc(B(O)O)c1)OCc1ccccc1 2282714197 OJJVTTDFNNRTLH-SJORKVTESA-N 435.267 -0.876 50 10 IBGE COCCOCC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1302115085 GZUPNXHVNHANMX-UHFFFAOYSA-N 438.300 -0.072 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 1313425517 PATILYLFTOSICW-JSGCOSHPSA-N 425.559 -0.134 50 10 IBGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1463558612 WZDQWPPSPCTDNS-KWQFWETISA-N 434.268 -0.723 50 10 IBGE O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1542285580 RUPILQKWAUGKFJ-NSHDSACASA-N 433.284 -0.304 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2ccc(=O)n(C)c2)c(CN2C(=O)c3ccccc3C2=O)n1 1627130702 JECOQLNERLXAIZ-UHFFFAOYSA-N 434.412 -0.010 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccnc(S(N)(=O)=O)c3)CC2)cc1 1629797817 ZHHBTDCAKXEATC-UHFFFAOYSA-N 446.533 -0.384 50 10 IBGE Cn1nc(C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c(B(O)O)c1Cl 2281652656 IEEBIJLKCHPNLK-CYBMUJFWSA-N 436.661 -0.479 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282372639 ZJINGKYXVYJVRM-DTWKUNHWSA-N 440.736 -0.270 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1cncc(B(O)O)c1)OCc1ccccc1 2282714196 OJJVTTDFNNRTLH-IRXDYDNUSA-N 435.267 -0.876 50 10 IBGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)c1 744640934 FKRCUGADBZKOAT-KRWDZBQOSA-N 439.490 -0.147 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCC(CNS(C)(=O)=O)CC2)cc1OC 796255691 QBZFRYWOQVEHLT-UHFFFAOYSA-N 428.511 -0.274 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncc(C=O)c3)CC2)cc1 1137299652 VXPJRAPLVBHKRO-UHFFFAOYSA-N 445.501 -0.030 50 10 IBGE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 1301697221 KRGOBPXLKLHJIT-RBJHHQRMSA-N 449.576 -0.110 50 10 IBGE COC(=O)[C@H]1CCCN(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 1349691713 CFPBFTSHFMCNQG-SFHVURJKSA-N 445.520 -0.242 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](O)c3ccccn3)CC2)cc1 1630996336 CIHIEQRKEQWZMB-IBGZPJMESA-N 447.517 -0.423 50 10 IBGE CN(C)CCn1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1545424371 YCSGIXNYZAJDCJ-UHFFFAOYSA-N 427.509 -0.336 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1nscc1B(O)O 2243346583 AYQYUIBOVJKTSU-UHFFFAOYSA-N 444.319 -0.029 50 10 IBGE Cc1cnn(-c2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1 765732041 UEBFADDHGBAYIE-UHFFFAOYSA-N 436.432 -0.611 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)c2cc(I)ccc2-n2cnnn2)N1 1588263582 YWGCMKCPUOGFSP-SECBINFHSA-N 441.189 -0.694 50 10 IBGE CN(C)S(=O)(=O)N1CCN(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 789847449 CGQTUSNBKWRKQU-HOTGVXAUSA-N 425.511 -0.276 50 10 IBGE O=C(CN(CC(=O)NNC(=O)[C@H]1CCCO1)Cc1ccccc1)NNC(=O)[C@H]1CCCO1 817213902 LNBHYMOJYGDBRD-IAGOWNOFSA-N 447.492 -0.859 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)NCC1(N2CCOCC2)CCOCC1 1229801043 LNWQXQNYTVCXHK-UHFFFAOYSA-N 425.511 -0.310 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NNC(=O)C2CCOCC2)C1 1558084856 DNYHPCFYGKRUBW-FZKQIMNGSA-N 431.511 -0.158 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1CCCS1(=O)=O 725877604 ZQQQBWHISKXDEI-UHFFFAOYSA-N 446.555 -0.342 50 10 IBGE Cn1cnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1=O 1540482129 RQGGTXQBCQDTRN-UHFFFAOYSA-N 449.489 -0.805 50 10 IBGE NS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cs1 1546249372 GHUZUWNDJYFDLM-UHFFFAOYSA-N 432.343 -0.165 50 10 IBGE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2=O)n(C)n1 1556168941 ZKQSQHFPEGOOKZ-GOSISDBHSA-N 425.298 -0.638 50 10 IBGE C[C@@H](C(=O)NNC(=O)[C@H]1COCCO1)N1C(=O)c2ccc(Br)cc2C1=O 744643805 JEBDPLDIDSBTDJ-QPUJVOFHSA-N 426.223 -0.004 50 10 IBGE CCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635821 GCOOGKZZVQZCDK-INIZCTEOSA-N 433.534 -0.097 50 10 IBGE CN(CCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1)S(=O)(=O)c1ccc(F)cc1 814328791 NKPOLZOBNOBDIM-LBPRGKRZSA-N 439.473 -0.369 50 10 IBGE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 805068524 OANAGOYDPANJFP-OAHLLOKOSA-N 439.542 -0.163 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1290349090 MBEDKWYVHDLUMQ-ZJNRKIDTSA-N 431.511 -0.158 50 10 IBGE CNc1cnc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 1445551040 LCXBYAUZPSLKBB-UHFFFAOYSA-N 447.521 -0.406 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)cn1 1465304815 RYTAUTAYEMUGFR-UHFFFAOYSA-N 427.508 -0.051 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)CS(C)(=O)=O 1634356093 ZOCMEIKHUCWVGQ-CYBMUJFWSA-N 437.565 -0.413 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366750 QKPFAWNNLAVRKK-DYMLUMCFSA-N 429.267 -0.750 50 10 IBGE Cn1nc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2255585573 DJQPFBNEWOHWEN-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 748342873 YHEJCKCDAGGMQY-INIZCTEOSA-N 425.511 -0.065 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccccc1OCC(=O)N1CCOCC1 814655790 XKNSBJILPJKCHL-CQSZACIVSA-N 443.464 -0.069 50 10 IBGE CCN1CCN(CC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)C1=O 1641590123 OJWDOSIRSQEATK-UHFFFAOYSA-N 427.502 -0.090 50 10 IBGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1Br 1149617444 MQBAOOCQYHXMOF-UHFFFAOYSA-N 442.313 -0.495 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1545111415 RDLCHTVWBVWWLN-GFCCVEGCSA-N 433.508 -0.683 50 10 IBGE O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1596923766 TXXOYZQUQZLDFS-MSOLQXFVSA-N 437.541 -0.900 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)N1 1681189823 OOTZRHVFSOWURZ-OAHLLOKOSA-N 441.485 -0.022 50 10 IBGE CCN1CCC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1=O 1685334272 BHMPACSQAIFXKP-OAHLLOKOSA-N 425.511 -0.043 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)n[nH]2)CCN1C(=O)OC(C)(C)C 2247887097 KFSQLGKADOXDBE-UHFFFAOYSA-N 439.278 -0.066 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1COCCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282360039 WTWXXXCOUGKRGE-VIFPVBQESA-N 440.736 -0.005 50 10 IBGE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)[C@H]3COCCO3)CC2)c1 744645116 QFYUSKONYSUTRJ-MRXNPFEDSA-N 426.495 -0.990 50 10 IBGE CN(CC(=O)NNC(=O)[C@H]1CCc2nncn2C1)S(=O)(=O)c1ccc(Cl)cc1 814211888 UIAMWJKKULQPKX-NSHDSACASA-N 426.886 -0.038 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1156083711 PBNKWIXYTOPXCY-LSDHHAIUSA-N 439.513 -0.676 50 10 IBGE Cn1nc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c2ccccc2c1=O 1479065112 PMMUPEIHRCWNIC-OAHLLOKOSA-N 428.449 -0.343 50 10 IBGE CN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(Br)cc1 1587113989 JOBNWHRBYZEDAZ-NSHDSACASA-N 433.284 -0.504 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncccc3N)CC2)cc1 1635500280 FWNBGMWBOLQDDF-UHFFFAOYSA-N 432.506 -0.260 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)Cc2ncsc2B(O)O)CC1 2282378904 MJYYMSCGRCXQHD-UHFFFAOYSA-N 439.346 -0.629 50 10 IBGE CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 1080323716 OIETWOPVQBCWNK-OAHLLOKOSA-N 426.454 -0.783 50 10 IBGE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NNC(=O)CS(C)(=O)=O)CC2 1634355328 JEUWODIVHHEFCF-UHFFFAOYSA-N 427.479 -0.439 50 10 IBGE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1=O 1642898126 VHLGZGKBKKAVJB-CYBMUJFWSA-N 425.486 -0.481 50 10 IBGE Cn1cc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(O)nc1=O 1685821377 AMWRCWCNZRQBCU-UHFFFAOYSA-N 429.481 -0.471 50 10 IBGE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282367711 GABKVFMXXBNRFF-UHFFFAOYSA-N 440.736 -0.411 50 10 IBGE CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 764086010 RYXXYJFRIBOWND-CYBMUJFWSA-N 425.511 -0.245 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 816875716 GKJFXNYSCPHQEA-OAGGEKHMSA-N 428.449 -0.240 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282736214 MSMWLUHKBAGHHB-BDAKNGLRSA-N 440.736 -0.270 50 10 IBGE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)[C@@H]1COCCO1)n2C 744642604 KMICIWLVXNYBDF-HNNXBMFYSA-N 439.494 -0.681 50 10 IBGE Cn1nc(C(=O)NNC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c2ccccc2c1=O 1540305398 RGPPKOJPUOHKRM-QWRGUYRKSA-N 432.380 -0.082 50 10 IBGE CCn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 748674027 JQYQXVJZIULWRF-UHFFFAOYSA-N 443.507 -0.453 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@](C)(O)Cn3ccccc3=O)cc2)CC1 790646594 OETCTVHMLDVHGN-FQEVSTJZSA-N 449.533 -0.321 50 10 IBGE CN1C(=O)CN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O 1135232947 WALMMBMLAJDTRZ-UHFFFAOYSA-N 437.478 -0.484 50 10 IBGE CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 1618594479 RQYYZCUVGISCQD-KRWDZBQOSA-N 446.485 -0.217 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(B(O)O)cc1 2164493793 QRXKWDXNXFFHIG-LJQANCHMSA-N 434.254 -0.190 50 10 IBGE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282741454 NVWFEXAABIFAQZ-JTQLQIEISA-N 437.374 -0.405 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCCCO3)c2)CC1 1129265109 CHSLZMOWEYTKQT-QGZVFWFLSA-N 438.506 -0.131 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)N1 1131507740 DZOFBSJYTPEEJX-CQSZACIVSA-N 430.433 -0.209 50 10 IBGE C=C(CS(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1)B(O)O 2282724223 LLDPBOISIUXPHU-AREMUKBSSA-N 425.338 -0.160 50 10 IBGE CN1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 919657572 PTQUPMLKXJGTQT-OAHLLOKOSA-N 425.511 -0.254 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NNC(=O)N2CCOCC2)C1 1542427202 MWLCCDFURDNATG-SJKOYZFVSA-N 432.499 -0.659 50 10 IBGE CS(=O)(=O)SCCC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O 22059044 NTAUBEPBIXSUDE-JTQLQIEISA-N 428.485 -0.720 50 10 IBGE in-vitro O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 816879248 KUSYBTZQIWBJPB-CQSZACIVSA-N 434.478 -0.677 50 10 IBGE O=C([C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)CBr)CC1 1152745144 CURMYUDDYBIMLD-STQMWFEESA-N 447.311 -0.216 50 10 IBGE O=C1CN(S(=O)(=O)c2cccc(C(=O)NN=c3cc[nH]c4cccnc34)c2)CCN1 1455575057 IOWVABOPDCUHTJ-UHFFFAOYSA-N 426.458 -0.071 50 10 IBGE CO[C@H]1COCC[C@@H]1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558898746 FSZQENBDTYLWAZ-PBHICJAKSA-N 441.506 -0.090 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCC(CO)CC3)cc2)CC1 1623404357 DXXXFDLCZDZURI-UHFFFAOYSA-N 425.555 -0.230 50 10 IBGE C[C@@H](O)CN(CCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(=O)OC(C)(C)C 2282726262 PJFGAVIBUYGCRR-SECBINFHSA-N 442.752 -0.023 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2nnc(S)n2C)c1 1312935112 XHNVSGPKWAHTQH-UHFFFAOYSA-N 427.512 -0.459 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282736215 MSMWLUHKBAGHHB-IUCAKERBSA-N 440.736 -0.270 50 10 IBGE Cn1cc(C(=O)NNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1=O 1252851026 LITGYVYLHQAFCB-UHFFFAOYSA-N 433.490 -0.236 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@@H]1COCO1 1313189084 JCYLXCOMXIPOAM-OAHLLOKOSA-N 442.494 -0.657 50 10 IBGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 1335585175 PFBXPNMNIFYDJP-UHFFFAOYSA-N 432.528 -0.651 50 10 IBGE O=C(N[C@@H](CO)C(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(F)cc1 1463536645 AMSZNXSHCSOHEY-ZDUSSCGKSA-N 437.453 -0.329 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)C)CC2)cc1 1465792035 QTODKDPUBXUBJG-LJQANCHMSA-N 439.582 -0.166 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(F)ccc(F)c2Cl)n(C)c1=O 1149623264 WTCGYQRFLHURJS-UHFFFAOYSA-N 426.767 -0.174 50 10 IBGE COCCOCC(=O)NC1CCC(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1 1182157816 DSOLEWCXXMDDQN-MRLCAUJQSA-N 442.557 -0.029 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)CC2)cc1 1294590083 CRVWGONHXGTZQD-RTBURBONSA-N 427.509 -0.139 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B(O)O)C[C@@H](C)N1C(=O)OCc1ccccc1 2282417838 FEUISTNRLUWRFA-OKILXGFUSA-N 436.299 -0.480 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2ccccc2B(O)O)C1 2282718551 ZITNTXIKAIKHHX-INIZCTEOSA-N 434.279 -0.318 50 10 IBGE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)[C@@H]1COCCO1 762234452 NYCZERRLFKTKBZ-INIZCTEOSA-N 428.511 -0.599 50 10 IBGE C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CN(C)CCN1C 1313423684 GNWGQWKVCMMGCK-XJKSGUPXSA-N 426.543 -0.485 50 10 IBGE C[S@](=O)C1(C(=O)NNC(=O)CN2CCCC2=O)CCN(C(=O)OC(C)(C)C)CC1 1587516493 VSJRUKNVCIYDNM-LJAQVGFWSA-N 430.527 -0.096 50 10 IBGE O=CN1CCC[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1628671988 VQYMYSDKIJVTAU-QGZVFWFLSA-N 438.506 -0.592 50 10 IBGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c[nH]nc2B(O)O)C1 2255581601 BSBLVAXVLMYRMG-MRXNPFEDSA-N 443.313 -0.059 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCOC2=O)cc1 728397829 QHTVWYPOWLDYTB-UHFFFAOYSA-N 427.483 -0.212 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H](O)CNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282357013 DFTNSNQFWANBFD-SECBINFHSA-N 443.114 -0.163 50 10 IBGE COc1cccc(Cl)c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765338142 YXQACZYYJQVLLM-UHFFFAOYSA-N 434.840 -0.514 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@]3(O)CCCN(C)C3)cc2)CC1 1446391795 YVOWIOAZJGAJNQ-LJQANCHMSA-N 425.555 -0.087 50 10 IBGE Cc1[nH]nc(I)c1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1597426363 QKLQJRUZXZJCKI-ZCFIWIBFSA-N 427.224 -0.546 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1634355455 LCXSSVJGVUWOKU-UHFFFAOYSA-N 442.313 -0.691 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1B(O)O)OCc1ccccc1 2282714154 NTBKFXMFDGSEHO-SJORKVTESA-N 434.279 -0.271 50 10 IBGE CS(=O)(=O)Cc1nc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)co1 1546251975 NEVMZGPIBBVDKJ-UHFFFAOYSA-N 430.302 -0.341 50 10 IBGE COc1ccc(CC(=O)NNC(=O)c2cccnn2)cc1S(=O)(=O)N1CCOCC1 1625193940 OVFZYGYSFDVFCA-UHFFFAOYSA-N 435.462 -0.490 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1639935293 TXCRWTRJVPXBSZ-GZBFAFLISA-N 441.506 -0.199 50 10 IBGE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@H]1NC(=O)OC(C)(C)C 2282731848 XIIFFMVDNGFPEJ-NXEZZACHSA-N 440.736 -0.006 50 10 IBGE CSCC[C@H](O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1137298812 CIIBGEPLYKEPMX-INIZCTEOSA-N 444.579 -0.437 50 10 IBGE CN1CC[C@@H]1CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1313324169 CSAGXUVNGLZKTM-MRXNPFEDSA-N 439.538 -0.325 50 10 IBGE COc1nccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 1465790020 DULWYMDWBJRXKL-UHFFFAOYSA-N 448.505 -0.439 50 10 IBGE Cn1ncc(I)c1C(=O)NNC(=O)CNC(=O)c1cccnc1 1558948456 HRBWYUSMZQTFND-UHFFFAOYSA-N 428.190 -0.389 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1636615482 OSFTXVCTBAEPHA-NSHDSACASA-N 432.528 -0.734 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1sncc1B(O)O 2243385864 PUXVFCVHACJYNM-UHFFFAOYSA-N 444.319 -0.029 50 10 IBGE CC1(C)NC(=O)N(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)C1=O 744621123 QUFDEEAQOQMESQ-UHFFFAOYSA-N 425.467 -0.519 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n(C)c1=O 765729473 BWIFBBRWEVGEFI-WDEREUQCSA-N 432.387 -0.337 50 10 IBGE Cc1nc(CC2CC2)sc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 789812437 ATUDENQLGUTYET-UHFFFAOYSA-N 431.478 -0.388 50 10 IBGE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NNC(=O)[C@H]3COCCO3)C2)CC1 805165481 KJFGSJLKFNBIFC-LSDHHAIUSA-N 427.502 -0.230 50 10 IBGE COCCCNC(=S)N(C)NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1539067107 JDLDQMCGEDADQW-UHFFFAOYSA-N 437.526 -0.405 50 10 IBGE O=C(NNC(=O)C1CN([C@@H]2CCOC2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558898962 MSDHFKNJZIXPGS-MRXNPFEDSA-N 438.506 -0.811 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1COCCO1 746003227 OOIZTOWJVPCBGC-QGZVFWFLSA-N 438.506 -0.362 50 10 IBGE CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)Cc1csc(N2CCOCC2)n1 1117741756 DHZVKSHDYKYUNG-UHFFFAOYSA-N 427.512 -0.477 50 10 IBGE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)[C@H](C)CO)CC2)cc1 1557203090 SWVQTSKTLVUEBT-OAHLLOKOSA-N 442.538 -0.348 50 10 IBGE Cc1occc(=O)c1OCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1566278369 AKARXBNDNYROON-UHFFFAOYSA-N 428.445 -0.068 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ncc(Br)cc1B(O)O 2333944807 GIUQFOXRXLUYCR-UTUOFQBUSA-N 432.080 -0.723 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 814335334 IFBALLDUJJDDKU-KGLIPLIRSA-N 433.494 -0.366 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H]([S@](C)=O)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1 1848435075 XSLGFIQRVCXUEU-FIVYJMCISA-N 440.990 -0.595 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccccc1B(O)O 2164490805 DIDJTQKSHRDHRC-IBGZPJMESA-N 434.254 -0.190 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n(C)c1=O 765733011 ZOUTYDRGOWYWGC-CMPLNLGQSA-N 432.387 -0.337 50 10 IBGE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccsc2)c1 1293454101 MWZROZCFIYVVHC-UHFFFAOYSA-N 431.517 -0.180 50 10 IBGE NS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 1538484343 LHTRGFFQZSZSDX-MRXNPFEDSA-N 438.554 -0.738 50 10 IBGE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)[C@@H](C)CO)CC2)cc1 1557203089 SWVQTSKTLVUEBT-HNNXBMFYSA-N 442.538 -0.348 50 10 IBGE COCCCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1=O 1586905428 PVBBUXWUGIFZFJ-UHFFFAOYSA-N 437.478 -0.395 50 10 IBGE Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2)cn1 741275599 LDBNCNQQKVHQAV-QGZVFWFLSA-N 448.505 -0.093 50 10 IBGE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(B(O)O)ccc4F)CC3)C2=O)n(C)n1 1296285576 BURSXOZYLMYCET-SFHVURJKSA-N 443.288 -0.499 50 10 IBGE CCCN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O 1638057815 PHKLWXXLQSBUOZ-OAHLLOKOSA-N 438.506 -0.273 50 10 IBGE COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)c1 1646038588 FQKXLFVTWGNQLJ-QGZVFWFLSA-N 440.522 -0.374 50 10 IBGE Cn1nnc(Br)c1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Br 2121369215 RKOXRWUTEQJKJV-RFZPGFLSSA-N 438.123 -0.584 50 10 IBGE CC(C)(C)OC(=O)N1CCOC[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282729740 RDFHBFINFICICI-VIFPVBQESA-N 440.736 -0.005 50 10 IBGE NS(=O)(=O)c1ccsc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446957063 KTIIIXGCHYCSNN-UHFFFAOYSA-N 432.343 -0.165 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1626426606 DUNQQVMGGMUTKD-HIFRSBDPSA-N 448.476 -0.031 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NNC(=O)[C@H]3CCCO3)CS(=O)(=O)[C@H]2C1 1159971577 GWNJDNMSKUOYKJ-DGAVXFQQSA-N 431.511 -0.017 50 10 IBGE CN(C)S(=O)(=O)N[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCCC1 1312942887 NIKCUDXUCPMIDC-HIFRSBDPSA-N 425.577 -0.678 50 10 IBGE O=CN1CCC[C@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1628671987 VQYMYSDKIJVTAU-KRWDZBQOSA-N 438.506 -0.592 50 10 IBGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1628913166 YDCUUSCLUBQCDZ-OLZOCXBDSA-N 431.511 -0.015 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)CCO1 2282378383 FOSVYBOOKXCSCF-VIFPVBQESA-N 440.736 -0.005 50 10 IBGE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)N(C)N=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 257533676 RONDBEFCNSGQHT-ZQNQSHIBSA-N 433.370 -0.608 50 10 IBGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 726276564 BFOVNOVZMKEZLY-INIZCTEOSA-N 429.485 -0.451 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 741709170 BQOXKWUBEHZDPE-AWEZNQCLSA-N 426.420 -0.014 50 10 IBGE O=C(NNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1COCCO1 746001201 DFWGDSRQZQASSB-OAHLLOKOSA-N 430.458 -0.322 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n(C)c1=O 765723496 BQNYILKURUVUAT-NSHDSACASA-N 446.851 -0.514 50 10 IBGE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814304832 SIYRHYGBIQDLKB-JKSUJKDBSA-N 427.513 -0.223 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)[C@H]1c1ccnn1C 1126840644 PPAGYBUGYNHCSN-MOPGFXCFSA-N 425.449 -0.254 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3CC4(C3)OCCO4)nc2)CC1 1313259791 PAGQEJWYUJDJAQ-UHFFFAOYSA-N 440.526 -0.203 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)N1 1470061494 MGAVLGIWQUVAIP-GOEBONIOSA-N 435.456 -0.548 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2c[nH]nc2B(O)O)C1 2247893640 VVXXPCSNNGDYJI-UHFFFAOYSA-N 430.270 -0.286 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(B(O)O)cc1F 2283678151 KFAMBRUOIJKHSY-QGZVFWFLSA-N 439.205 -0.333 50 10 IBGE NS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccn1 1597886451 QNRWTHRCSFTGBW-UHFFFAOYSA-N 427.302 -0.831 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCC4(C3)OCCO4)nc2)CC1 1671045962 MDEBMNUXZZPUAI-AWEZNQCLSA-N 440.526 -0.061 50 10 IBGE CSCC[C@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)C(=O)O 2318467135 BXOZBOOFKJEUMX-CABCVRRESA-N 432.568 -0.233 50 10 IBGE COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1160403308 BTFIDFJCSFUOCQ-LSDHHAIUSA-N 425.463 -0.332 50 10 IBGE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NNC(=O)[C@@H]2COCCO2)CC1 746001133 CHVDQOKIYDTVBK-HNNXBMFYSA-N 433.531 -0.731 50 10 IBGE Cc1nn(C(F)F)c(C)c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765723999 GVGCZFQHXMPOLX-UHFFFAOYSA-N 438.395 -0.968 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2ccc(F)c(F)c2)n(C)c1=O 765730739 NPJPABBYRCDEGI-UHFFFAOYSA-N 434.403 -0.118 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccn(C3CCCCC3)n2)n(C)c1=O 792238054 QLNWKORPCVVHAP-UHFFFAOYSA-N 428.453 -0.403 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 793221460 LPWQJMXVZBJNIJ-UHFFFAOYSA-N 446.508 -0.106 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3CCN3C3CCOCC3)CC2=O)cn1 1638870858 KCQYVMHPTLBJLX-YOEHRIQHSA-N 434.497 -0.717 50 10 IBGE Cc1ccc(/C=C/S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765126462 SHQWEJYZZGZNOU-CMDGGOBGSA-N 432.462 -0.636 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2nccn2S(=O)(=O)N(C)C)c1 814725465 FKPPJOUCEXQJBL-UHFFFAOYSA-N 428.496 -0.448 50 10 IBGE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)C1=O 816882561 HZUGKGNGBLCXQY-WYRIXSBYSA-N 429.412 -0.406 50 10 IBGE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884142 RWQRGFGFHIVADK-ZDUSSCGKSA-N 435.510 -0.185 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)C1 808278885 LLJIZPAHKXWZIM-HUUCEWRRSA-N 427.502 -0.230 50 10 IBGE CC(CN1C(=O)CCC1=O)=NNC(=O)CCCCC(=O)NN=C(C)CN1C(=O)CCC1=O 1084106818 UCDCKECSGAMSQA-UHFFFAOYSA-N 448.480 -0.171 50 10 IBGE Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccc(F)cc2n1 1340588572 BWPXFJZBBSGGII-UHFFFAOYSA-N 439.407 -0.109 50 10 IBGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1350383420 QYVQAXZCWFQWOG-LLVKDONJSA-N 439.226 -0.011 50 10 IBGE NS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 1538484342 LHTRGFFQZSZSDX-INIZCTEOSA-N 438.554 -0.738 50 10 IBGE O=C(COc1ccccc1CNC(=O)NNC(=O)[C@H]1COCCO1)NC[C@@H]1CCCO1 745645587 BJYCDLOLACOSPJ-DOTOQJQBSA-N 436.465 -0.394 50 10 IBGE CS(=O)(=O)N1CC(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 1137303889 AANMHNFINNYAIF-UHFFFAOYSA-N 443.957 -0.504 50 10 IBGE CO[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCOC1 1252899657 HIALZUZDTQJRKD-HOCLYGCPSA-N 442.542 -0.305 50 10 IBGE CNS(=O)(=O)NCC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1292321761 PSVBYTKTUKFMTM-GOSISDBHSA-N 431.518 -0.185 50 10 IBGE CCN1CCC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1=O 1684278779 LYKRHYORJYHDPR-HNNXBMFYSA-N 439.542 -0.345 50 10 IBGE Cc1sc(B(O)O)cc1S(=O)(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2282368727 VAEOFIYWVFMGFW-UHFFFAOYSA-N 434.330 -0.165 50 10 IBGE O=C(CNC(=O)NNC(=O)[C@H]1COCCO1)Nc1ccc(I)cc1 790751823 DMMLSRBMXRYIFR-LLVKDONJSA-N 448.217 -0.025 50 10 IBGE CN(CCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)S(=O)(=O)c1cccs1 814313519 BFLGRCXYSBIONW-LLVKDONJSA-N 427.512 -0.447 50 10 IBGE O=C(N[C@@H](CO)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(F)cc1 1293184256 OKNIJZAXOLVPKK-INIZCTEOSA-N 430.440 -0.230 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnc(CO)c3)CC2)cc1 1566278495 GKTLORSXVDWWHQ-UHFFFAOYSA-N 447.517 -0.350 50 10 IBGE NS(=O)(=O)c1sccc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1631771344 CYGMCYIFMPWZMP-UHFFFAOYSA-N 432.343 -0.165 50 10 IBGE Cn1ncc(I)c1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1675487758 DOLDHXTYVOWOQV-LLVKDONJSA-N 427.268 -0.094 50 10 IBGE CCOCCCN1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 764812199 HMPOIUSQHNGSEE-AWEZNQCLSA-N 433.513 -0.326 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c1=O 765721684 FHYHJCUSASPKBR-NXEZZACHSA-N 430.387 -0.050 50 10 IBGE CCCn1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C1CC1 765866817 IDIANQKDRVZOKY-UHFFFAOYSA-N 428.453 -0.621 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2N2CCCCC2)n(C)c1=O 766645337 SMEJKUUKXZJZAP-UHFFFAOYSA-N 439.476 -0.115 50 10 IBGE CNC(=S)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1556921713 SXCIXCZXKBLAKB-UHFFFAOYSA-N 427.552 -0.233 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCN1C(=O)COc2cc(Br)ccc21 1586191184 NLKIMJTVYSAANZ-UHFFFAOYSA-N 434.268 -0.243 50 10 IBGE O=C(O)[C@H]1O[C@@H](Oc2ccc([C@H](C(=O)OO)[C@@H]3CCCCN3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1848436318 HLGBKTWPQBKCEX-OSPICLMDSA-N 427.406 -0.801 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ncncc2B(O)O)C1 2255715870 LJWXIDSHXBFACF-UHFFFAOYSA-N 442.281 -0.219 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 801748667 INILJVLZIYKNQC-UHFFFAOYSA-N 429.524 -0.281 50 10 IBGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1 1326111691 MSMLXRQIQUEAJQ-HNNXBMFYSA-N 447.583 -0.080 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)CC2)cc1 1465790363 MGFYXKPQONZEBB-KBAYOESNSA-N 434.518 -0.208 50 10 IBGE O=C(NNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1540554957 SLFKBMKKBBNBRQ-LSDHHAIUSA-N 425.463 -0.394 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 1624409712 GNKMMOIODOSRIP-UKRRQHHQSA-N 432.568 -0.103 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2ccc(B(O)O)s2)C1 2267209446 WYNZLWYEQBWQDU-AWEZNQCLSA-N 440.308 -0.256 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CS(C)(=O)=O 1149617422 LWPYNTCGRLWYSF-LLVKDONJSA-N 441.528 -0.582 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CNC(=O)c1ccccc1I 1454279118 WHNGIQXQABBZGY-UHFFFAOYSA-N 439.231 -0.787 50 10 IBGE COC(=O)[C@H]1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1682972976 KTODFGOCNWTKJY-JOCQHMNTSA-N 426.499 -0.405 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccccc1B(O)O)OCc1ccccc1 2282714153 NTBKFXMFDGSEHO-IRXDYDNUSA-N 434.279 -0.271 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 741598017 TWMROGKVXFBXIA-LLVKDONJSA-N 444.416 -0.029 50 10 IBGE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)CN1CCCC1=O 1635877688 GZABPEOLXGTFBZ-KBPBESRZSA-N 425.530 -0.018 50 10 IBGE CN(C)CCN(C=C(C#N)C(=O)NCCCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 2324077534 ASKRNJDTUQITOP-KRWDZBQOSA-N 425.555 -0.427 50 10 IBGE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 749551447 NRCDLDSWVSYAAS-HLNSBACISA-N 449.460 -0.110 50 10 IBGE COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 1190884585 ZOKAUDGTTCDFBS-OAHLLOKOSA-N 440.570 -0.700 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1CCC(=O)N1 1628671578 DOOSOTNCBGYQKE-OAHLLOKOSA-N 438.506 -0.544 50 10 IBGE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)c1cccc3cccnc13)C2 786118332 ZYFMWLFALNILSZ-UHFFFAOYSA-N 438.448 -0.449 50 10 IBGE CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1141730778 LUJSOHUIRVTCSQ-UHFFFAOYSA-N 428.496 -0.476 50 10 IBGE CS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)CC1 1858002165 NNDQOALEYAIJRM-UHFFFAOYSA-N 437.522 -0.247 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2187580261 OSFJXXBXLHQYQB-CYDGBPFRSA-N 425.935 -0.533 50 10 IBGE C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 766641929 CYUPRRRKCLFQOW-AAEUAGOBSA-N 428.449 -0.070 50 10 IBGE Cc1ccc2snc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 815826813 BRUIWJMSGIPZMX-UHFFFAOYSA-N 427.446 -0.187 50 10 IBGE C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1264258031 MHXFLQLGAQAZHU-ZIAGYGMSSA-N 432.543 -0.054 50 10 IBGE CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1627322705 VGGQJRBLDWMZNJ-AWEZNQCLSA-N 447.558 -0.043 50 10 IBGE CN1CCCC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 1650647719 HODUPNXFAJHFTM-MRXNPFEDSA-N 438.506 -0.273 50 10 IBGE C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 766641931 CYUPRRRKCLFQOW-WCQYABFASA-N 428.449 -0.070 50 10 IBGE O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)[C@H]1CCc2nncn2C1 816878009 IKCFZESDNJECGM-AEGPPILISA-N 432.481 -0.030 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CC2)cc1 1137300040 BVCZKHIOUGXJKN-HXUWFJFHSA-N 437.566 -0.268 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1ccc(I)cc1-n1cnnn1 1629129719 QMWGAQZGWXHOQD-LLVKDONJSA-N 444.189 -0.557 50 10 IBGE CCn1nccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 769862602 MNZDPNFWTYVOEZ-UHFFFAOYSA-N 443.507 -0.453 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12 800517751 RQCPHVBVHFSFKY-HOAAEXEBSA-N 434.496 -0.081 50 10 IBGE CC1=NS(=O)(=O)N(C)C=C1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1445566686 REDNPXACAZHZGK-UHFFFAOYSA-N 448.505 -0.873 50 10 IBGE CS(=O)(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 1624127276 CNKNHPFUCBTSJA-UHFFFAOYSA-N 441.329 -0.107 50 10 IBGE CC(C)(C(=O)NNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 731221483 BKPSKQOAVMFVFI-UHFFFAOYSA-N 439.538 -0.100 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(CN3CCCC3)c2)n(C)c1=O 766638699 IQQWATWHXQDLKY-UHFFFAOYSA-N 439.476 -0.509 50 10 IBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1463700738 NCOXNWPXTGBIFS-MRXNPFEDSA-N 441.469 -0.103 50 10 IBGE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1597885497 HUXDVYBZYHBITE-NSHDSACASA-N 441.348 -0.781 50 10 IBGE O=C(NC1CC2(C1)CN(S(=O)(=O)c1cncc(B(O)O)c1)C2)OCc1ccccc1 2282097322 DJPUTHLXXRJZQO-UHFFFAOYSA-N 431.279 -0.159 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2296040088 GVNJGLXQDPAUOG-HNNXBMFYSA-N 436.299 -0.512 50 10 IBGE CCCn1nc(C(=O)NNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)c2ccccc2c1=O 1351663680 ZOUQBIMPKNPRRE-HNNXBMFYSA-N 443.460 -0.021 50 10 IBGE CSCCNC(=S)NNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1623164502 FOCLFWLUCKZQDO-LLVKDONJSA-N 426.973 -0.163 50 10 IBGE CN(CCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)S(=O)(=O)c1ccc(F)cc1 814328790 NKPOLZOBNOBDIM-GFCCVEGCSA-N 439.473 -0.369 50 10 IBGE COc1cc(C(=O)NNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc(OC)c1OC 1253791340 BNMVBEOAUKYALP-UHFFFAOYSA-N 431.471 -0.853 50 10 IBGE CCO[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)CN(C)C 1471295778 HFOGWBILJWXXKR-HNNXBMFYSA-N 443.574 -0.390 50 10 IBGE O=C(CCN1C(=O)COc2cc(Br)ccc21)NNC(=O)[C@H]1CCC(=O)N1 1587115743 ZSXBAKLXOYZKLV-SNVBAGLBSA-N 425.239 -0.009 50 10 IBGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1COCCO1 745978241 GUXFZHKLOZYYNM-NSHDSACASA-N 447.413 -0.748 50 10 IBGE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCc3ccco3)CC2)C[C@H](C)O1 748334279 OBVGNAWCEBPMOG-GJZGRUSLSA-N 443.526 -0.075 50 10 IBGE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)COc1ccccc1Br 1470765501 YTCCFBSXSBQYRS-ZYHUDNBSSA-N 436.284 -0.030 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1641246977 NIYSCADNLLANHM-HQJQHLMTSA-N 434.268 -0.384 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282380672 MSMWLUHKBAGHHB-DTWKUNHWSA-N 440.736 -0.270 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)n1 2282728190 CZTUJCYBXXPAJB-NSWWBONSSA-N 434.283 -0.774 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C(C)C)nn3)CC2)cc1 794394436 XXDAHJPVUJFVES-UHFFFAOYSA-N 449.537 -0.065 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)C1 808278886 LLJIZPAHKXWZIM-LSDHHAIUSA-N 427.502 -0.230 50 10 IBGE O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1306200456 MHSGGDFVVLAZIB-AWEZNQCLSA-N 431.492 -0.954 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O 1647933309 DYCBUXXJCKFULA-LBPRGKRZSA-N 434.902 -0.640 50 10 IBGE COc1ccc(-c2n[nH]cc2C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 254823211 YFPRSAQLACBMJQ-UHFFFAOYSA-N 436.432 -0.017 50 10 IBGE COc1ccc([C@H](CNC(=O)NNC(=O)[C@@H]2COCCO2)N2CCOCC2)cc1OC 745289928 BXIVCXUKGNZNGN-YJBOKZPZSA-N 438.481 -0.177 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2CC(OCc3ccccc3)C2)n(C)c1=O 765729531 CTMHZPMTNVOHKT-UHFFFAOYSA-N 440.460 -0.424 50 10 IBGE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 771258615 XWSUKMOEQCEQJK-FQEVSTJZSA-N 431.449 -0.460 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCCCS3(=O)=O)CC2)cc1 1294590420 JDHMKOGIAHBBFL-UHFFFAOYSA-N 437.566 -0.314 50 10 IBGE CCN1CCC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1=O 1684278780 LYKRHYORJYHDPR-OAHLLOKOSA-N 439.542 -0.345 50 10 IBGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B(O)O 2267628258 JXHGLEUTAWKZMZ-CQSZACIVSA-N 439.324 -0.004 50 10 IBGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cncc(B(O)O)c1 2282713539 GOKISEURZICMCC-UHFFFAOYSA-N 437.374 -0.054 50 10 IBGE CC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 252634472 WOFPEPYSUCQEGI-UHFFFAOYSA-N 439.356 -0.400 50 10 IBGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)C1CCN(c2ncccn2)CC1 1330431603 OTEQDLLXICLNED-UHFFFAOYSA-N 425.515 -0.551 50 10 IBGE CS(=O)(=O)SC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O 1848440510 ZGNRXSPQYVOOHM-GMOBBJLQSA-N 425.554 -0.026 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1156083708 PBNKWIXYTOPXCY-CABCVRRESA-N 439.513 -0.676 50 10 IBGE O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1596923768 TXXOYZQUQZLDFS-ROUUACIJSA-N 437.541 -0.900 50 10 IBGE COCCOCC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1642239619 MLVBKANSNUMKAO-UHFFFAOYSA-N 441.510 -0.433 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)CCO1 2282378382 FOSVYBOOKXCSCF-SECBINFHSA-N 440.736 -0.005 50 10 IBGE CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CSC)c(=O)n2Cc1ccccc1 115899210 NFYMANQHHDKQFP-UHFFFAOYSA-N 430.490 -0.062 50 10 IBGE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c1 1463749706 UHZXKTDNGDSLGH-UHFFFAOYSA-N 434.279 -0.470 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3nonc3C)CC2)cc1 1465790105 HHQCHYHHWBWPPA-UHFFFAOYSA-N 436.494 -0.617 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C4CC4)nn3)CC2)cc1 1465791036 YQYJTOLWOYYBIF-UHFFFAOYSA-N 447.521 -0.311 50 10 IBGE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1 1628338474 CFHCGVNGFDHIJC-UHFFFAOYSA-N 431.323 -0.589 50 10 IBGE O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 798314286 FFRHJEFYSGGPTI-HBNTYKKESA-N 428.433 -0.011 50 10 IBGE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)Cc1ncsc1B(O)O 2282849504 CAWUVANVSRGUGX-MWLCHTKSSA-N 437.374 -0.407 50 10 IBGE O=C(COc1ccccc1CNC(=O)NNC(=O)[C@H]1COCCO1)NC[C@H]1CCCO1 745645588 BJYCDLOLACOSPJ-NVXWUHKLSA-N 436.465 -0.394 50 10 IBGE CC1(C)C(=O)NC(=O)N1CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 746332353 MSRYFMWWUXSKKT-UHFFFAOYSA-N 425.467 -0.519 50 10 IBGE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 816824912 OJFYAMHKAVDXNG-APPDUMDISA-N 435.474 -0.456 50 10 IBGE CN(C)[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1cncn1C 1622153705 PTSMYARSIHEQJX-LJQANCHMSA-N 427.509 -0.372 50 10 IBGE CCON(C)C(=O)CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1636669521 ZMKCDYWEBRXRQD-UHFFFAOYSA-N 427.483 -0.175 50 10 IBGE O=C(NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)[C@@H]1CCN1C1CCOCC1 1645053933 MNMRNUVDAHNMEC-CVEARBPZSA-N 432.481 -0.422 50 10 IBGE O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764168053 MLPULLIRUKDTBC-UHFFFAOYSA-N 430.465 -0.230 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3nnc(C)n3C)ccc2F)CC1 1641993445 RGKBVJVRKQMNIG-UHFFFAOYSA-N 439.473 -0.128 50 10 IBGE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)Cc2ncsc2B(O)O)s[nH]1 2282384831 ROIFTZLECHCBJF-UHFFFAOYSA-N 435.318 -0.937 50 10 IBGE Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=Cc1ccc([N+](=O)[O-])o1 254517596 CMNLQJFTAFXXCV-UHFFFAOYSA-N 432.357 -0.670 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCc2nncn2CC1 1629793178 MIQLOYHPLADWSO-MRXNPFEDSA-N 425.493 -0.164 50 10 IBGE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CN2CCCC2=O)C1=O 1648935055 SZHUVEZVZQTFRF-FQEVSTJZSA-N 431.449 -0.460 50 10 IBGE COc1ccc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 729951296 LBVDJBZFSWBVHD-UHFFFAOYSA-N 430.421 -0.698 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1557735136 TWFLBGIHPWRVGV-UHFFFAOYSA-N 443.547 -0.232 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1557977815 JRVRLTMIAAOMRO-OCCSQVGLSA-N 444.897 -0.766 50 10 IBGE CN1CCN(C(=O)NNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1639494411 JIRHRRQTEOFAAR-CYBMUJFWSA-N 433.531 -0.601 50 10 IBGE C/C(CN1C(=O)CCC1=O)=N/NC(=O)CCCCC(=O)N/N=C(\C)CN1C(=O)CCC1=O 20157399 UCDCKECSGAMSQA-VOKWCDJLSA-N 448.480 -0.171 50 10 IBGE CSCCNC(=S)NNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1623164503 FOCLFWLUCKZQDO-NSHDSACASA-N 426.973 -0.163 50 10 IBGE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2=O)n(C)n1 1632750951 OKFIYGFOXHKCPM-GOSISDBHSA-N 425.298 -0.638 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ncc(Br)cc1B(O)O 2231671828 GIUQFOXRXLUYCR-GRYCIOLGSA-N 432.080 -0.723 50 10 IBGE Cc1nc(S(=O)(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282858196 SWODUMLUMKQMTK-HNNXBMFYSA-N 436.299 -0.512 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 755361560 KKVAAWZMPSCODC-CYBMUJFWSA-N 448.885 -0.071 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 810091327 PZGNBDFDIQJSSQ-UHFFFAOYSA-N 447.945 -0.076 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccccc1S(=O)(=O)N1CCOCC1 816882087 WZLFLTUHTVCVNA-ZDUSSCGKSA-N 434.478 -0.677 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCOC3(CCS(=O)(=O)CC3)C2)cc1OC 1655109806 PFVNVOZBSZUJPB-UHFFFAOYSA-N 441.506 -0.256 50 10 IBGE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 1659652359 RXFGXTKRNYFSSN-CYBMUJFWSA-N 428.511 -0.274 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(B(O)O)s1 2108235019 UBFZJGPBKWCAPL-KRWDZBQOSA-N 440.283 -0.128 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@H](O)C1 2282726110 MUQNPHLBYSMSCN-VHSXEESVSA-N 440.736 -0.270 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2COCCO2)ccc1Br 744646557 QUULPDUALAQUAB-LLVKDONJSA-N 436.284 -0.124 50 10 IBGE COc1ccc([C@@H](CNC(=O)NNC(=O)[C@@H]2COCCO2)N2CCOCC2)cc1OC 745289927 BXIVCXUKGNZNGN-QAPCUYQASA-N 438.481 -0.177 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3C[C@H]4CC[C@H]3O4)CC2)cn1C 1644572524 YOYCKLPOAPEFTG-QLFBSQMISA-N 425.511 -0.156 50 10 IBGE Cn1nc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1B(O)O 2247889054 LQRLMBYLRUEDAG-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE N#C/C(=C/c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1454765 YZXHQNVEQSCWQS-QKXCFHHRSA-N 443.485 -0.259 50 10 IBGE CCc1c(C(=O)NNC(=O)Cc2cn3ccccc3n2)cnc2c1c(=O)n(C)c(=O)n2C 754061255 VGLPQIYUBDJAIE-UHFFFAOYSA-N 435.444 -0.154 50 10 IBGE COC(C)(C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 798247611 YBBUFXOEKSHLOP-UHFFFAOYSA-N 435.524 -0.303 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=S)NCCN3CCOCC3)CC2)cc1 764519600 RPEGUTRTPMBNDY-UHFFFAOYSA-N 434.610 -0.060 50 10 IBGE Cn1cc([C@H]2CS(=O)(=O)CCCN2CC(=O)NNC(=O)c2ccc(C#N)cc2)cn1 1620584098 HDXOSMPWTGSHNX-QGZVFWFLSA-N 430.490 -0.085 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)[C@H]1CCc2nncn2C1 816874288 ZRWJWFHEKKUAHY-JTQLQIEISA-N 428.421 -0.365 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1456022591 ZNASVRKOXXKJMF-URFZWBKFSA-N 436.465 -0.304 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)c2ccsc2)CC1 735117874 IGOBFZRIKBWEMN-UHFFFAOYSA-N 438.535 -0.048 50 10 IBGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)[C@@H](CC(N)=O)C1 2369312091 COCUCYHFBNAIGF-NSHDSACASA-N 443.107 -0.175 50 10 IBGE C[C@@H](Cn1ccc2ccccc21)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802762391 FIUVWRSCEWOICJ-ZDUSSCGKSA-N 437.460 -0.128 50 10 IBGE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C1=O 1456035826 DYEWSZAYLVUSJP-HRAATJIYSA-N 429.477 -0.146 50 10 IBGE C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1463558609 WZDQWPPSPCTDNS-KCJUWKMLSA-N 434.268 -0.723 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)n(C)c1=O 1622153362 CKNWQZXLNYTKFU-NXEZZACHSA-N 430.387 -0.050 50 10 IBGE O=C(NC1CN(S(=O)(=O)c2c(F)cc(F)cc2B(O)O)C1)OCc1ccccc1 2267622536 SNHRNULMZSKXOV-UHFFFAOYSA-N 426.206 -0.056 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282371960 RKUJJKSUEJDZLD-AWEZNQCLSA-N 440.736 -0.269 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2282073976 RDFVBCVVWHWOFX-OAHLLOKOSA-N 436.299 -0.573 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3nnc4n3CCC4)nc2)CC1 754925854 MCDZITMNLAILDP-UHFFFAOYSA-N 449.541 -0.576 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C=O)n(C)n3)CC2)cc1 1445552474 QBYCRKMRHLULPM-UHFFFAOYSA-N 448.505 -0.691 50 10 IBGE COC(=O)[C@@H]1CO[C@H](CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 1635500991 UBDVSDDNMRGNFH-ZWKOTPCHSA-N 446.504 -0.050 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cc(B(O)O)cs1)OCc1ccccc1 2267608456 WJJSLMJINRHYHE-LSDHHAIUSA-N 440.308 -0.210 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@](C)(O)Cn3ccccc3=O)CC2)cc1 790891678 RSUSCUZLGXMTAO-HSZRJFAPSA-N 441.532 -0.127 50 10 IBGE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)c1 1596922831 FKLWIRUOVUTPGC-HNNXBMFYSA-N 426.495 -0.343 50 10 IBGE O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1COCCOC1 813818195 PVARIOHBRIBDLU-UHFFFAOYSA-N 428.467 -0.933 50 10 IBGE O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)[C@@H]1CCc2nncn2C1 816878012 IKCFZESDNJECGM-VHDGCEQUSA-N 432.481 -0.030 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(C)nn2)ccc1Br 1130910112 VEEZDSJHXNTKHH-UHFFFAOYSA-N 431.272 -0.097 50 10 IBGE NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=S)NCC3CCC3)CC2=O)c1 1300091049 WXAUGFHKLNABQU-LBPRGKRZSA-N 425.536 -0.018 50 10 IBGE O=C(CNC(=O)N1CCCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1457485961 FIMWMTVCDWJDTN-UHFFFAOYSA-N 439.494 -0.726 50 10 IBGE O=C(NNC(=O)[C@H]1CCCO1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673443039 OTULAJRAQCXTGH-CQSZACIVSA-N 426.451 -0.660 50 10 IBGE CC[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1684231590 GICWRKGDSZWVQL-OAHLLOKOSA-N 427.527 -0.008 50 10 IBGE CSC[C@H](C(=O)NNC(=O)[C@H]1CCc2nncn2C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 816884763 IKQNYFUKRFFUIU-IGQOVBAYSA-N 434.522 -0.105 50 10 IBGE COC(=O)CC1CC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1687603871 WYTCPCKZJAPEBR-UHFFFAOYSA-N 440.526 -0.015 50 10 IBGE CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)Cc3ccccn3)cn2)CC1 756552336 ZWOLKBNKVNWRQC-UHFFFAOYSA-N 433.494 -0.046 50 10 IBGE COCCn1nnc2c1CCN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2 814388879 WLCAURMNUUXCOO-UHFFFAOYSA-N 431.453 -0.050 50 10 IBGE C[C@H](NC(=S)NNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 1164000134 WRXFWYNLTHRKCF-JTQLQIEISA-N 434.565 -0.338 50 10 IBGE CC(C)(C)OC(=O)NCCCN(CCO)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2281100818 FXDRALSAMRAYEQ-OLZOCXBDSA-N 427.951 -0.284 50 10 IBGE CO[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@@H]1NC(=O)OC(C)(C)C 2282731849 XIIFFMVDNGFPEJ-UWVGGRQHSA-N 440.736 -0.006 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)[C@@H]1COCCO1 810461733 FNUZYECZEGJFOM-NSHDSACASA-N 427.357 -0.574 50 10 IBGE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446928429 LJKVLOXOBFHPIW-DGCLKSJQSA-N 440.360 -0.131 50 10 IBGE O=C(C[C@H]1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558899232 WCFNNTCEUIVFDP-CQSZACIVSA-N 445.519 -0.564 50 10 IBGE CN1CCN(C(=O)NNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1568122359 KBBKRTXKUVNTCY-UHFFFAOYSA-N 447.558 -0.211 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(O)cn3)CC2)cc1 1622153306 ABIGJHNYQOTLSL-UHFFFAOYSA-N 433.490 -0.137 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1635878357 ZYSHKKLKGQARHU-RDBQEKCUSA-N 430.383 -0.258 50 10 IBGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1637744118 VCTSYVAILIREPS-JLTOFOAXSA-N 436.465 -0.189 50 10 IBGE O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1156184466 SYLOKWKEZJUIHO-SFHVURJKSA-N 444.536 -0.089 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 1628315166 CQRHCLZJMVPIQK-ZDUSSCGKSA-N 432.524 -0.631 50 10 IBGE COCC(=O)NNC(=O)CSc1nnc(N/N=C/c2ccc(C(=O)OC)cc2)n1N 20914287 BQVVVARTOBLPGM-CNHKJKLMSA-N 436.454 -0.890 50 10 IBGE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)cc1OC 1465299539 IQWIGFVPTFMPLQ-UHFFFAOYSA-N 448.306 -0.033 50 10 IBGE CCN(CCO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1640011162 OFDKGBPWHJKIOU-UHFFFAOYSA-N 439.538 -0.128 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1683673378 DSLDXXAXZYQDJD-HNNXBMFYSA-N 438.554 -0.395 50 10 IBGE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3ccccn3)CC2)C[C@@H](C)O1 729231164 GJKSOAZLLIRRRT-GASCZTMLSA-N 440.526 -0.664 50 10 IBGE COc1ccc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(OC)c1 730025009 HUYVQLBYEIPUTE-UHFFFAOYSA-N 429.499 -0.775 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 814305165 FUACIUBACFWUQH-HUUCEWRRSA-N 427.465 -0.149 50 10 IBGE CC(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1459717452 JHPFSIIUBXPVFG-UHFFFAOYSA-N 439.494 -0.873 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCN1CCC2(C1)OCCO2 1471408769 CGVOQVKAGBOGSL-UHFFFAOYSA-N 446.552 -0.022 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 1630867049 QPJYMXFEESMMEH-FMIVXFBMSA-N 429.520 -0.109 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(S(C)(=O)=O)CCC2)CC1 1650833989 PMKSNFVXWIHNHZ-UHFFFAOYSA-N 431.540 -0.572 50 10 IBGE CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1682281074 YDNSWLGFQLKQDC-HUUCEWRRSA-N 428.467 -0.935 50 10 IBGE O=C(COc1ccccc1Br)NNC(=O)NCc1nnc2n1CCNC2=O 1684991688 NNMXGDDDYPUDDX-UHFFFAOYSA-N 438.242 -0.307 50 10 IBGE COC(=O)c1cnn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 1294590065 CDBNVCVFUBNNQV-UHFFFAOYSA-N 428.493 -0.057 50 10 IBGE O=C([C@H]1C[C@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)CBr)CC1 1631772572 MYMOCAVCFIKTQU-NWDGAFQWSA-N 434.316 -0.757 50 10 IBGE COC(=O)N1CCC(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 1182815130 ADNGDOYLVFQIQY-UHFFFAOYSA-N 440.526 -0.061 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)Cc3cn4ccccc4n3)CC2=O)cn1 1355437165 LVOSYHNTDOOKOF-AWEZNQCLSA-N 425.449 -0.080 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@@H]2CCOc3ccccc32)n(C)c1=O 765724987 NEVFPHWMEGSYQA-LBPRGKRZSA-N 426.433 -0.463 50 10 IBGE O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1156184411 SCCPKQMRMARJSK-HNNXBMFYSA-N 431.424 -0.112 50 10 IBGE CCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)cc1OC 1440552292 YLPVCEUEFSUOHH-BRWVUGGUSA-N 431.449 -0.221 50 10 IBGE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1COCCO1 1445055587 ZCPFTNOMROSHNH-ZIAGYGMSSA-N 447.897 -0.564 50 10 IBGE Cn1nc(C(=O)NNC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c2ccccc2c1=O 1540305396 RGPPKOJPUOHKRM-GHMZBOCLSA-N 432.380 -0.082 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n(C)c1=O 765729465 BWIFBBRWEVGEFI-GHMZBOCLSA-N 432.387 -0.337 50 10 IBGE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2COCCO2)C1=O 769964268 QDTIUSMEBSKKOT-YVEFUNNKSA-N 428.804 -0.191 50 10 IBGE O=C(CS(=O)(=O)CC(=O)N1CC[C@H](B(O)O)C1)Nc1cccc(Br)c1 864234111 MYMHWXNYEOCRDV-JTQLQIEISA-N 433.089 -0.122 50 10 IBGE O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1522840298 WVGYQAQORROOJJ-UHFFFAOYSA-N 448.505 -0.373 50 10 IBGE CC[C@H](O)Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1 1629793267 PETNSZYXAYBSHI-INIZCTEOSA-N 429.481 -0.732 50 10 IBGE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 1641308355 LFHVCXOMYYIGRU-FXAWDEMLSA-N 449.467 -0.074 50 10 IBGE O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1650867301 FQJCFDYKNRFSNI-KRWDZBQOSA-N 441.444 -0.004 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cscc1B(O)O)OCc1ccccc1 2267624116 SWEKRTWTFKKVCQ-LSDHHAIUSA-N 440.308 -0.210 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=S)NCCN1CCOCC1 764512511 CZWLTQKSGKNGLW-UHFFFAOYSA-N 434.566 -0.728 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc(Cl)c2F)n(C)c1=O 765122349 FEDYMRIYIWQLPL-UHFFFAOYSA-N 444.832 -0.764 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)N1CCN(C)CC1 807381358 PBRNXGSQLUBUBU-UHFFFAOYSA-N 425.511 -0.382 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1623325120 KDDZQCBQTJHAHV-ZDUSSCGKSA-N 438.959 -0.147 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2c(cccc2B(O)O)C1 2149929272 SVLHZTZCBFBDTI-UHFFFAOYSA-N 428.275 -0.259 50 10 IBGE Cc1nc(S(=O)(=O)N(C)CC2CN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282339279 SYXWFKDNZRJMCH-UHFFFAOYSA-N 436.299 -0.703 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(OC)c1 729969333 PHJFKYGWDRIESZ-NWDGAFQWSA-N 425.463 -0.500 50 10 IBGE O=C(NNC(=O)C1CS(=O)(=O)C1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1135521776 ASMBIWKFZCLFJS-UHFFFAOYSA-N 437.499 -0.029 50 10 IBGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B(O)O 2247784304 SHWQQJDUXYRPAR-UHFFFAOYSA-N 441.294 -0.419 50 10 IBGE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)COC1 2282358463 ZRGHDCIVUVACED-UHFFFAOYSA-N 440.736 -0.099 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[C@@H]1COCCO1 745998650 NIJCSHDMJFXMSI-AWEZNQCLSA-N 432.886 -0.198 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCCC34OCCO4)nc2)CC1 1675465978 YDJRLWYVBNSLDP-HNNXBMFYSA-N 440.526 -0.061 50 10 IBGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(B(O)O)cc1F 2283679165 YNHNAZHDMIDGMR-UHFFFAOYSA-N 435.242 -0.035 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3cnccn3)CC2)cc1 766636583 QUYMZOFVAWSSPD-DAXSKMNVSA-N 444.517 -0.048 50 10 IBGE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 1135990289 LGNBIVWPXPQMJS-AUUYWEPGSA-N 441.506 -0.277 50 10 IBGE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282380874 OYSDVWSWBJVQLX-ZJUUUORDSA-N 440.736 -0.006 50 10 IBGE COC(=O)[C@@H]1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1313276614 UXEXMXQSEMCBQX-KGLIPLIRSA-N 440.526 -0.015 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=C2C(=O)Nc3c2cccc3C(F)(F)F)n(C)c1=O 764815693 DBXCBIDYDCPSSG-UHFFFAOYSA-N 449.349 -0.075 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CO[C@H]2CCCc3ccccc32)n(C)c1=O 797743373 PJTUXMCBUWSUAQ-HNNXBMFYSA-N 440.460 -0.325 50 10 IBGE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1 1135521779 AWABDXFVYFLUSQ-UHFFFAOYSA-N 446.290 -0.310 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1 731809973 UMQHPBYLKYFGSX-UHFFFAOYSA-N 447.583 -0.216 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 745816328 FQZJXFAOACWFDF-LSDHHAIUSA-N 435.485 -0.972 50 10 IBGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C1CCOCC1 1533320941 TWTUPDYBHHVBLN-UHFFFAOYSA-N 427.479 -0.096 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)[C@H]3CCN3C3CCOCC3)CC2=O)cn1 1638870857 KCQYVMHPTLBJLX-WMLDXEAASA-N 434.497 -0.717 50 10 IBGE COCCN(/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 217005340 PYILYNHJAOSPBI-HVCHUGMYSA-N 442.519 -0.185 50 10 IBGE CC(C)CN1C(=O)C(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc21 764815004 AUPBYXIWOFITBK-UHFFFAOYSA-N 437.460 -0.043 50 10 IBGE C[C@H](NC(=O)Cn1cnnn1)C(=O)NNC(=S)Nc1cccc(Br)c1 1587476076 UEIYFMCLMUMRRA-QMMMGPOBSA-N 427.288 -0.042 50 10 IBGE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2cc(B(O)O)ccc2F)c1 1631731930 KRGFLCCRRLCFAW-UHFFFAOYSA-N 425.247 -0.276 50 10 IBGE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267391338 PKFXKVQXAFLVGG-QMMMGPOBSA-N 428.725 -0.413 50 10 IBGE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)Cc1ncsc1B(O)O 2282863754 VYKIVCSKXCTXFO-UHFFFAOYSA-N 429.276 -0.256 50 10 IBGE O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1COCCO1 745792817 KYCKAOUUTROXAN-OAHLLOKOSA-N 425.873 -0.266 50 10 IBGE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(Br)cn1C 755081403 AMSLURYOXFKXQF-MRVPVSSYSA-N 433.288 -0.351 50 10 IBGE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)Cc2nc3ccccc3n2C)C1 807579456 OMVURXQDEZQLCV-CYBMUJFWSA-N 437.526 -0.283 50 10 IBGE CSCC[C@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@H]1CCS(=O)(=O)C1)C(=O)O 2318467137 BXOZBOOFKJEUMX-GJZGRUSLSA-N 432.568 -0.233 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCN2CCCOCC2)cc1 1564839794 RVBRJRSBZWNNDR-UHFFFAOYSA-N 427.527 -0.332 50 10 IBGE C/C(=C\C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)CN1CCOCC1 1635504882 HRQYBDNYOWTXGK-OBGWFSINSA-N 429.521 -0.130 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3(CS(C)(=O)=O)COC3)CC2)cc1 1635504912 IQQUJJGWDNBZSP-UHFFFAOYSA-N 438.550 -0.679 50 10 IBGE C[C@H](C(=O)NNC(=O)[C@H]1COCCO1)N1C(=O)c2ccc(Br)cc2C1=O 744643803 JEBDPLDIDSBTDJ-PRHODGIISA-N 426.223 -0.004 50 10 IBGE CCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H]2COCCO2)(c2ccccc2)CC1 744652347 HYQYSLGVJGCJJY-INIZCTEOSA-N 425.507 -0.067 50 10 IBGE O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)[C@H]1COCCO1 745785937 FDOHCVLGTXLKQV-MRXNPFEDSA-N 426.495 -0.167 50 10 IBGE CN(C)C(=O)/C=C\C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1618795942 QKBWKYYPPIFDSX-KTKRTIGZSA-N 438.506 -0.568 50 10 IBGE C[C@H](O)CN(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1625937390 FVQKQSYZDOUJHB-FZMZJTMJSA-N 441.959 -0.235 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1sccc1B(O)O)OCc1ccccc1 2267201691 RQCSCUGTAQCDKH-HUUCEWRRSA-N 440.308 -0.210 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282742535 DLUSISDBBUZTNR-ZJJDNZPOSA-N 439.346 -0.582 50 10 IBGE CC(C)Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765123275 HXMBRJJDDGPFBU-UHFFFAOYSA-N 448.505 -0.358 50 10 IBGE O=C(CN1CCCCS1(=O)=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1147902488 JPDCTAHDPNPOLK-UHFFFAOYSA-N 432.524 -0.424 50 10 IBGE CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1468658914 IFGCUKFIEMLICF-UHFFFAOYSA-N 427.508 -0.102 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)[C@H]1c1ccnn1C 1350198696 JEGIJFTZDPIBRX-SJORKVTESA-N 449.489 -0.427 50 10 IBGE CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1540458848 HBDOMEDOOBHZME-UHFFFAOYSA-N 431.478 -0.110 50 10 IBGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc(Br)cn2C)CC1 737064932 LNFKFTPJYFSTET-UHFFFAOYSA-N 443.302 -0.188 50 10 IBGE C[C@@H](NC(=S)NNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 1164000135 WRXFWYNLTHRKCF-SNVBAGLBSA-N 434.565 -0.338 50 10 IBGE COCCCNC(=S)N(C)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1440640393 OUEOGUQXVHBGBA-UHFFFAOYSA-N 444.535 -0.035 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NNC(=O)N3CCOCC3)CS(=O)(=O)[C@@H]2C1 1544298172 XJMZXJFXVZKSNV-MGPQQGTHSA-N 446.526 -0.270 50 10 IBGE NS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCCC2=O)sc1Br 1632321317 WCJXISVTDWYRBI-UHFFFAOYSA-N 425.286 -0.459 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282359096 JHMFECMVLDVSFD-WCBMZHEXSA-N 440.736 -0.413 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n(C)c1=O 15836623 XENHEILNWBKPHV-UHFFFAOYSA-N 442.476 -0.042 50 10 IBGE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1157588351 HXEJDZHAKQDWSG-LSDHHAIUSA-N 439.513 -0.092 50 10 IBGE C[C@]1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H]1Br 1441798301 MYCJTFHYBMCFTM-MDZLAQPJSA-N 429.358 -0.179 50 10 IBGE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)cc1OC 1586550731 PZQIAHIBYOCYNY-UHFFFAOYSA-N 448.306 -0.033 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)[C@H]1c1nccn1C 1587409888 CBMAXGPFCLQRLC-HOTGVXAUSA-N 436.513 -0.202 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1642898217 XNHIIFAKSPCXIG-UHFFFAOYSA-N 430.508 -0.723 50 10 IBGE CSCC[C@@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@H]1CCS(=O)(=O)C1)C(=O)O 2318467145 BXOZBOOFKJEUMX-LSDHHAIUSA-N 432.568 -0.233 50 10 IBGE C/C(N)=C(/C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 9493827 VVVQXGAVJMERJW-ZRDIBKRKSA-N 425.423 -0.192 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 748358435 NOXGKHYTIPPLBS-KRWDZBQOSA-N 446.485 -0.182 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccccc2N2CCCC2)n(C)c1=O 755445682 GFTSFQZZSTVGSX-UHFFFAOYSA-N 440.464 -0.113 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1470267438 POIXJJOBROCNBV-UHFFFAOYSA-N 446.313 -0.203 50 10 IBGE O=C(CNC(=O)c1cccnc1)NNC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1611015377 MWWJPEJQQQWJOD-UHFFFAOYSA-N 426.355 -0.053 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 745832859 TUMXWGIJBROTTL-INIZCTEOSA-N 426.495 -0.273 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCc4nnc(O)n4C3)cc2)CC1 1596692239 FJNOCKGKSFYEHK-CYBMUJFWSA-N 435.510 -0.375 50 10 IBGE O=C(NNc1cc(Br)ncn1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1644900116 ZQDBIQFBIYOVTB-MRVPVSSYSA-N 431.272 -0.152 50 10 IBGE CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H]([S@](C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 1776009704 XSLGFIQRVCXUEU-ALVDPNTDSA-N 440.990 -0.595 50 10 IBGE COc1cccc([C@@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729813 HIHZOFAWBXEUOR-LBPRGKRZSA-N 428.449 -0.217 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(N3CCCCC3)cc2)n(C)c1=O 766645297 SCHYKWDBLGPRSU-UHFFFAOYSA-N 439.476 -0.115 50 10 IBGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1Br 744644504 MLKCAZFBYFLIHP-LLVKDONJSA-N 436.284 -0.124 50 10 IBGE CN(C)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(Cl)n1 765728925 TZTIYBPFSWIYKO-UHFFFAOYSA-N 434.844 -0.991 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[C@]2(O)CCCOC2)cc1 1252532593 VDFRKBCSQQHFQO-GOSISDBHSA-N 428.511 -0.122 50 10 IBGE O=C(NNC(=O)c1cnc2nccn2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1608469577 JJDIXXZJOOOYDY-UHFFFAOYSA-N 430.446 -0.175 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1633925612 NOWRWKZWNDKMBR-NEPJUHHUSA-N 432.499 -0.348 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cccn(C)c3=O)CC2)cc1 766635683 CNYXJMXOAVQODP-UHFFFAOYSA-N 447.517 -0.539 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCC(=O)N1CCC(O)CC1 1440329343 FLPHQQLOUASGEG-UHFFFAOYSA-N 425.511 -0.187 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 744641721 KSQJAXHKGYTHBZ-NSHDSACASA-N 443.386 -0.078 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n(C)c1=O 765731895 SPJUNXMMLHKSRB-GFCCVEGCSA-N 432.824 -0.762 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2SCCc3sccc32)n(C)c1=O 766641940 DGTRHVYWADGFMG-ZDUSSCGKSA-N 434.503 -0.327 50 10 IBGE CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1674758015 OSVBRXZFMZCIHS-CQSZACIVSA-N 425.515 -0.735 50 10 IBGE CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CC1=O 1159504128 GCUZFNKIXFXWJY-LBTNJELSSA-N 441.488 -0.082 50 10 IBGE CCc1c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cnc2c1c(=O)n(C)c(=O)n2C 753887479 KLARNVJEEDAULZ-HNNXBMFYSA-N 439.428 -0.204 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=C2C(=O)Nc3ccc(C(F)(F)F)cc32)n(C)c1=O 764811781 AVRUBIQNLJWBCY-UHFFFAOYSA-N 449.349 -0.075 50 10 IBGE Cn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C2CCCCC2)n1 766638320 FROXEMROWADPOA-UHFFFAOYSA-N 442.480 -0.324 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B(O)O 2243397542 DGMSNXDARRLWKW-UHFFFAOYSA-N 427.267 -0.763 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cc(C)no3)CC2)cc1 1635501204 YEMOAQSOICUZGE-UHFFFAOYSA-N 435.506 -0.012 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)CI 2209518073 BZUBOTAZCMVZBI-VGMNWLOBSA-N 436.268 -0.361 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282742534 DLUSISDBBUZTNR-UAXLGHPASA-N 439.346 -0.582 50 10 IBGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1530203210 AXEQLHPJCXXORU-OCCSQVGLSA-N 427.479 -0.098 50 10 IBGE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1456039831 UVISPTNBWBPLAO-KGLIPLIRSA-N 428.486 -0.157 50 10 IBGE Cn1cc(I)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)n1 1654405848 AHXZXXHGPCSVEZ-UHFFFAOYSA-N 428.190 -0.389 50 10 IBGE COc1ccc(S(=O)(=O)N2CC(NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2)cc1 1672518299 LYPITVVRUAQIDN-INIZCTEOSA-N 432.524 -0.551 50 10 IBGE O=S(=O)(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c(B(O)O)s1 2282376797 ISSDASFDUGMISO-INIZCTEOSA-N 430.744 -0.003 50 10 IBGE CCCN(C)S(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 765034494 NGDHBVWZISICDY-UHFFFAOYSA-N 448.567 -0.153 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3nccn3C)CC2)cc1 1149621506 ATFBAJDVSIUWIK-UHFFFAOYSA-N 448.549 -0.185 50 10 IBGE Cc1nc(S(=O)(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282858197 SWODUMLUMKQMTK-OAHLLOKOSA-N 436.299 -0.512 50 10 IBGE CN(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788917028 SHZJWHAYVONHOP-UHFFFAOYSA-N 442.560 -0.140 50 10 IBGE CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1467896057 MJAYCIIZWANLDG-HIFRSBDPSA-N 447.485 -0.114 50 10 IBGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3sccc3B(O)O)C2)C1 2282076015 BNEIZQLNNMPREW-UHFFFAOYSA-N 436.342 -0.165 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCc1c(F)cccc1B(O)O 2289815021 FSMCSVLMRBAQEH-UHFFFAOYSA-N 434.254 -0.346 50 10 IBGE C/C(NNC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)=C1/C=CC=CC1=O 135834890 GHLIAJPHPGLQLS-VAWYXSNFSA-N 427.425 -0.732 50 10 IBGE O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 816877959 HFLDNPOXZVJCJY-QGZVFWFLSA-N 441.492 -0.058 50 10 IBGE Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)Cc3ccccc3O)cnc21 1149269062 NBDCKMNYRBMJBI-UHFFFAOYSA-N 435.238 -0.012 50 10 IBGE C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)N1C(=O)c2ccc(Br)cc2C1=O 1470660730 DTQWFDQPQMVAEY-SSDOTTSWSA-N 432.252 -0.374 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc(B(O)O)cc1)OCc1ccccc1 2282079059 QWJOYQHUISXTHH-MSOLQXFVSA-N 434.279 -0.271 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CC[C@@H]4CN(C)C[C@@H]43)nc2)CC1 1639063312 MMOCFPQRWIZKOQ-HYVNUMGLSA-N 437.570 -0.016 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(OC)c1 729969335 PHJFKYGWDRIESZ-VXGBXAGGSA-N 425.463 -0.500 50 10 IBGE CN1CCN(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 1139085499 WDXDWUXIXAVHMT-UHFFFAOYSA-N 431.540 -0.700 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 1463575694 YWUORBUXRYORHF-OALUTQOASA-N 439.520 -0.224 50 10 IBGE Cc1ccc(F)c2[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 1629792979 JNIXXLRAWCMBKC-UHFFFAOYSA-N 427.396 -0.176 50 10 IBGE Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)c(=O)n2C 788869556 IRIHEMPBLVXZNE-BBRMVZONSA-N 426.433 -0.846 50 10 IBGE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NNC(=O)CN1CCCC1=O)N2C(=O)OC(C)(C)C 1557978197 OKDCDVYOMAHZJT-GVAFMPQTSA-N 438.481 -0.057 50 10 IBGE CN1CCN(CC(=O)NNC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1865760169 KCXDTNKGEJCKLH-UHFFFAOYSA-N 432.437 -0.634 50 10 IBGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1CN1CCOCC1 27495933 IIOIYQGOJWWJAP-DJKKODMXSA-N 442.396 -0.263 50 10 IBGE COC(=O)[C@H](I)CNS(=O)(=O)C1CCS(=O)(=O)CC1 234612320 FMLFYDGPTCWSFQ-MRVPVSSYSA-N 425.266 -0.540 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccn2Cc2cccs2)n(C)c1=O 766642432 FPMPPNRNIKVJMN-UHFFFAOYSA-N 441.473 -0.194 50 10 IBGE CN(C)C1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1230396688 WGKHPEPKLLBODO-UHFFFAOYSA-N 425.511 -0.254 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1456022585 ZNASVRKOXXKJMF-FWZIUSJTSA-N 436.465 -0.304 50 10 IBGE Cn1cc(/C=C(\C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cn1 1544081032 YAGQGDDDQYSKBB-SFQUDFHCSA-N 429.506 -0.010 50 10 IBGE CCO[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCOC1 1638390419 XOBKWQFBKMEMPV-GDBMZVCRSA-N 427.527 -0.098 50 10 IBGE CN(CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287309847 XSEVFVRKIVOFFK-NEPJUHHUSA-N 425.935 -0.579 50 10 IBGE CCO/C=C(\C#N)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1137298834 DBPKMFLWIYKGOC-JQIJEIRASA-N 435.506 -0.107 50 10 IBGE O=C([C@H]1C[C@@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)CBr)CC1 1631772574 MYMOCAVCFIKTQU-VXGBXAGGSA-N 434.316 -0.757 50 10 IBGE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1687562254 CPQDTXFXBWPUSG-SFHVURJKSA-N 425.511 -0.858 50 10 IBGE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)[C@@H]1CCc2nncn2C1 816884299 WHJJOWDKQHQTGU-KZULUSFZSA-N 437.460 -0.536 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 1160865007 DOHMTMJUUHUQCA-HNNXBMFYSA-N 436.538 -0.138 50 10 IBGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2(N3CCOCC3)CCOCC2)c1 1681857612 ONTGPBSIYAFUFS-UHFFFAOYSA-N 440.522 -0.085 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B(O)O)CCN1C(=O)OC(C)(C)C 2247783537 GXCDYIOVSFFCJD-UHFFFAOYSA-N 439.278 -0.066 50 10 IBGE CCCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729810 HGVVCMGHEUDZNT-UHFFFAOYSA-N 444.448 -0.551 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776055359 MIINVGZKRJNSSC-RYQLBKOJSA-N 433.509 -0.033 50 10 IBGE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCc4nncn4C3)C2=O)cc1 816881729 NZZLKSMJDQCPSH-RNODOKPDSA-N 425.449 -0.236 50 10 IBGE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884355 XJGABCJSKSPSAS-ZSEKCTLFSA-N 437.460 -0.013 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@@]3(O)CCCN(C)C3)cc2)CC1 1446391793 YVOWIOAZJGAJNQ-IBGZPJMESA-N 425.555 -0.087 50 10 IBGE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1646045505 QOYJDNBWVULJRV-WFASDCNBSA-N 428.486 -0.107 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 814331041 WQXQAYACOVGKOP-HUUCEWRRSA-N 427.465 -0.149 50 10 IBGE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 1478950875 MISDDLPZBAMIQI-RYUDHWBXSA-N 436.284 -0.030 50 10 IBGE CO[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)N(C(=O)OCc2ccccc2)C1 1624585297 JPTOITSQQRGPTK-ARFHVFGLSA-N 439.490 -0.005 50 10 IBGE CNC(=S)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1642163409 XAYNXJPWEYRMNW-FWLQQBITSA-N 448.592 -0.153 50 10 IBGE CN(OCC(F)(F)F)C(=O)CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1684016656 DRHHLAHOINREMT-UHFFFAOYSA-N 440.404 -0.124 50 10 IBGE CN(C)[C@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1686904391 AACHHZFCOAVTQS-FZNQNYSPSA-N 439.538 -0.008 50 10 IBGE O=C(OCc1ccccc1)N1CC[C@@H](NS(=O)(=O)Cc2ncsc2B(O)O)C1 2255750666 NVPJMVRFTJLJKU-CYBMUJFWSA-N 425.297 -0.347 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CSCC(=O)N1 1294603650 XBOANRHKMWNURG-HNNXBMFYSA-N 425.942 -0.163 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)ccc1=O 1645962129 QZZUKOAPVLHCLJ-HNNXBMFYSA-N 434.474 -0.083 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)N1 1287239057 SNKHSDXDSZQRMP-GFCCVEGCSA-N 430.870 -0.600 50 10 IBGE Cc1nn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(=O)n1C 1635520436 LLPJSWTXMROPOW-UHFFFAOYSA-N 435.916 -0.491 50 10 IBGE CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 1672938070 GKQDEYJRLUMNGK-GDBMZVCRSA-N 428.511 -0.003 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(F)c(F)cc(F)c2F)n(C)c1=O 766641962 DRMHHYANWLPMED-UHFFFAOYSA-N 428.302 -0.549 50 10 IBGE O=C(NNC(=O)c1csc(I)n1)N[C@@H]1CCS(=O)(=O)C1 1136390023 QUIUPKHVFWGZCH-RXMQYKEDSA-N 430.249 -0.121 50 10 IBGE O=C(CC1(O)CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1457486372 JQWXXRLJENIYDT-UHFFFAOYSA-N 427.479 -0.600 50 10 IBGE CCN1C[C@@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1=O 1478929933 PGXQRKNGDCLABJ-CQSZACIVSA-N 439.542 -0.488 50 10 IBGE CCn1cnc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 1545424221 QWOMGJTTXDRAQM-UHFFFAOYSA-N 434.522 -0.021 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]2(OC)CCS(=O)(=O)C2)c1 1623865002 OPGOFDIHTKIZNJ-QGZVFWFLSA-N 447.535 -0.318 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)N1 1681189802 OOTZRHVFSOWURZ-HNNXBMFYSA-N 441.485 -0.022 50 10 IBGE COC(=O)[C@H](I)CNS(=O)(=O)c1nnc(NC(C)=O)s1 300174361 URCKXRFYEHAFAQ-RXMQYKEDSA-N 434.237 -0.249 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3COCCO3)c2)C[C@@H](C)O1 744643734 RNAXLSKXFSGRBW-DVOMOZLQSA-N 427.479 -0.339 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)c1 1135322569 FIYSZWMBIRRSAR-HNNXBMFYSA-N 440.522 -0.029 50 10 IBGE O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)[C@@H]1CCN1C1CCOCC1 1156184551 VKPOHUCMRRCUND-HNNXBMFYSA-N 428.486 -0.105 50 10 IBGE C[C@@H](O)CN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1468764599 GRNBQDQQXUTZIE-CQSZACIVSA-N 430.502 -0.217 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccc(Br)cc2)n1 1472505108 PYGKRKCQKGDOTL-MRVPVSSYSA-N 431.272 -0.272 50 10 IBGE Cn1cc(C2=NO[C@@H](C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)C2)cn1 1635504700 DPPRJHOWOOHDIR-GOSISDBHSA-N 439.476 -0.482 50 10 IBGE C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 790487808 RAQKIVQTPZNQQH-FQEVSTJZSA-N 448.501 -0.155 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2c(F)cccc2Cl)n(C)c1=O 766363941 ZMPGALRAPLCBNI-UHFFFAOYSA-N 444.832 -0.764 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)N1CCC1 795286408 KLYHUUMSQVFDQX-UHFFFAOYSA-N 432.524 -0.789 50 10 IBGE COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)CC2=O)cc1OC 1149617797 TWZIPOOAKNGXDQ-ZDUSSCGKSA-N 427.479 -0.713 50 10 IBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1565440300 MLOQZJNRGRFRQZ-OBJOEFQTSA-N 425.486 -0.038 50 10 IBGE O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1635372040 NWVDELGGHPBWKI-LLVKDONJSA-N 430.259 -0.888 50 10 IBGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B(O)O)[nH]s2)CCN(Cc2ccccc2)C1 2248434092 UJXDJZMRLNWIFJ-IBGZPJMESA-N 447.326 -0.252 50 10 IBGE Cn1ncc(B(O)O)c1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2255726787 XKFYANRYFVKSHG-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE Cc1nc(S(=O)(=O)N(C)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282858164 SJQFWOVLSQDJIJ-HNNXBMFYSA-N 436.299 -0.560 50 10 IBGE N#CC(=Cc1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296546462 YZXHQNVEQSCWQS-OAHLLOKOSA-N 443.485 -0.259 50 10 IBGE Cc1ccc(-c2cc(C(=O)NNC(=O)NC[C@@]34COCCN3C(=O)COC4)n[nH]2)cc1 1235028191 NHTKFRRONUUXGQ-FQEVSTJZSA-N 428.449 -0.043 50 10 IBGE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 1644109252 KWZCOZLXZGLPEM-GFCCVEGCSA-N 447.897 -0.228 50 10 IBGE COCCN1C(=O)C(=CNNC(=O)CSC(=S)N2CCCC2)C(=O)NC1=S 2040475489 KGOMZUVBPIPLSW-UHFFFAOYSA-N 431.565 -0.505 50 10 IBGE COc1nc(N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)ncc1Br 751148323 UAGDFPOLBRJBRA-LLVKDONJSA-N 445.274 -0.474 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)ccc1=O 1179623710 SHSBKBDNSRMCQV-UHFFFAOYSA-N 426.476 -0.458 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1182609552 SPBVPILWCFTROX-IONNQARKSA-N 433.284 -0.040 50 10 IBGE Cn1ncc(I)c1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1675487759 DOLDHXTYVOWOQV-NSHDSACASA-N 427.268 -0.094 50 10 IBGE Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(B(O)O)n1 2247796094 SZZPPZLEQOIJKU-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE COc1cccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765730857 PCIQNZACQBRRQJ-KBPBESRZSA-N 426.433 -0.607 50 10 IBGE CC(C)Cn1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C1CC1 768459496 BSNGZXXQHVKMEE-UHFFFAOYSA-N 442.480 -0.375 50 10 IBGE O=C(CN1CCOCC1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 790488068 YMKLLKZEYNRQRN-UHFFFAOYSA-N 446.485 -0.215 50 10 IBGE COc1ccccc1NC(=S)NNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 1135525406 LUMFYVULBVTLSQ-UHFFFAOYSA-N 431.540 -0.153 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)N[C@H]1CCc2nnnn2CC1 1312885624 ZBAFWLOMLRSGOY-INIZCTEOSA-N 427.513 -0.079 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cnc3n2CCOC3)cc1 1471549661 JXUARRHCPYRJGQ-UHFFFAOYSA-N 436.494 -0.127 50 10 IBGE O=C1O[C@H]([C@H](O)CO)C(=N/NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 15775090 DQSKDXHDAZGSHT-ZJRXBFNJSA-N 442.384 -0.752 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2COc3ccc(Cl)cc3C2)n(C)c1=O 765723485 BQNYILKURUVUAT-LLVKDONJSA-N 446.851 -0.514 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCOc2cccc(F)c2)n(C)c1=O 765729547 CXWLEMHNFPRWCY-UHFFFAOYSA-N 432.412 -0.421 50 10 IBGE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@H]2COCCO2)C1=O 769964263 QDTIUSMEBSKKOT-PXAZEXFGSA-N 428.804 -0.191 50 10 IBGE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)COc1ccccc1Br 1470765499 YTCCFBSXSBQYRS-PWSUYJOCSA-N 436.284 -0.030 50 10 IBGE O=C(c1cccc(B(O)O)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1629339205 QWUOQFPLTPLKPM-UHFFFAOYSA-N 432.263 -0.716 50 10 IBGE O=S1(=O)CCN(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)CC1 2075318472 JDCXGLYHWGKZBO-OCAPTIKFSA-N 426.152 -0.196 50 10 IBGE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2287329382 XYAHYSGYDCSPSB-UHFFFAOYSA-N 440.736 -0.316 50 10 IBGE Cn1cc(C(=O)NNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cn1 1293761318 PQQIAISKCBXDEW-KWCYVHTRSA-N 441.510 -0.149 50 10 IBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1463700735 NCOXNWPXTGBIFS-INIZCTEOSA-N 441.469 -0.103 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3nccc3C)CC2)cc1 1635500243 FLALLPKCQUHKFZ-UHFFFAOYSA-N 434.522 -0.346 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)/C=C/c2ccc(F)cc2)n(C)c1=O 765123895 KDUIXZFTKZTAHF-BQYQJAHWSA-N 436.425 -0.806 50 10 IBGE O=C(c1cccc(B(O)O)c1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1464591424 RSZHPBALDHMQQU-UHFFFAOYSA-N 446.290 -0.326 50 10 IBGE O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 788874111 KPDNJHVCUIHHFO-VKJFTORMSA-N 448.501 -0.128 50 10 IBGE COCCCn1c(S)nc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc2c1=O 1586190974 CYMRTBOPZVVIND-UHFFFAOYSA-N 428.492 -0.473 50 10 IBGE CO[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)N(C(=O)OCc2ccccc2)C1 1624585299 JPTOITSQQRGPTK-BZUAXINKSA-N 439.490 -0.005 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)[C@@H]3CCC[C@H]3O)cc2)CC1 1630968102 ZEFQLAJYZPORIR-QZTJIDSGSA-N 425.555 -0.089 50 10 IBGE CN1CCN(c2ncc(Br)cc2B(O)O)[C@@H](CNC(=O)C(F)(F)F)C1 2231670230 UXQDNLQUNXQHLX-VIFPVBQESA-N 425.014 -0.677 50 10 IBGE O=C(N[C@@H]1[C@H]2C[C@H]1N(S(=O)(=O)Cc1ncsc1B(O)O)C2)OCc1ccccc1 2267626700 MMROTJXNFSPAEB-NWANDNLSSA-N 437.308 -0.348 50 10 IBGE CCN1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1=O 802532162 IGKCRTYFHXRDTJ-CQSZACIVSA-N 425.515 -0.735 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)C1 808278884 LLJIZPAHKXWZIM-GJZGRUSLSA-N 427.502 -0.230 50 10 IBGE CCO/C=C(/C#N)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1137298835 DBPKMFLWIYKGOC-PEZBUJJGSA-N 435.506 -0.107 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)[C@@H]2COCCO2)cc1 744642714 MJEIXIYHGPEACY-SJORKVTESA-N 439.490 -0.005 50 10 IBGE COc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1S(=O)(=O)N1CCOCC1 1130340285 WETQQGHJKMIQCE-DZGCQCFKSA-N 441.506 -0.169 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1168868608 FMKUHSHDYLKFPV-UHFFFAOYSA-N 439.899 -0.834 50 10 IBGE CCn1nc(C(=O)NNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)c2ccccc2c1=O 1540381262 WDWSTVYWVISFBT-CQSZACIVSA-N 429.433 -0.411 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2cc(B(O)O)nn2C)C[C@H](C)N1C(=O)OCc1ccccc1 2282698326 AXCZARACVFGLMB-KBPBESRZSA-N 436.299 -0.480 50 10 IBGE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1558457407 MCPAHHVZTDNVMR-GUYCJALGSA-N 440.522 -0.237 50 10 IBGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)CN1CCCC1=O 1587515852 ABMWAVDCCKRFLR-ZDUSSCGKSA-N 425.486 -0.338 50 10 IBGE C/C(N)=C(/C#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 9635027 OQYLIESPWVBLJS-UMEZHTNUSA-N 438.418 -0.413 50 10 IBGE COc1ccc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)c(Br)c1O 169892661 VEWFNAIEMNYEDZ-UBKPWBPPSA-N 427.215 -0.113 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cn2ccc3ccc(Cl)cc32)n(C)c1=O 765723464 BKFGIDQDZCAQTE-UHFFFAOYSA-N 443.851 -0.111 50 10 IBGE CN(C)S(=O)(=O)CCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1149649711 NICKNIDGHJYAIG-UHFFFAOYSA-N 445.973 -0.114 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 1586791012 VGCUAQIGAKVNTA-UHFFFAOYSA-N 443.482 -0.142 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Br)cs2)n(C)c1=O 765726343 ABVBXVMOANKHNR-UHFFFAOYSA-N 441.267 -0.281 50 10 IBGE CCOCCOCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766635627 BHEQWECGOOBPMQ-UHFFFAOYSA-N 442.538 -0.498 50 10 IBGE CC(C)n1nc(C(=O)NNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 810467007 UVHBPLHQBRPZJF-MDZDMXLPSA-N 438.444 -0.151 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C(=O)C1 1471976905 BBZDWGURYQNPQN-OAHLLOKOSA-N 439.513 -0.534 50 10 IBGE O=C(Cn1ncc2cccnc21)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1472475516 ZXKKYTABFWNCEO-UHFFFAOYSA-N 444.473 -0.087 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 758031233 VQZCLYKQOFCKAQ-JSGCOSHPSA-N 428.486 -0.308 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 792985165 JGBITTGHFYUZIO-SFHVURJKSA-N 448.524 -0.350 50 10 IBGE CN(C)S(=O)(=O)N1CCCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 811851900 XIHWYROPRZYTRF-UHFFFAOYSA-N 437.320 -0.054 50 10 IBGE C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)COc2ccccc2Br)C1=O 1132942939 XGWLNJNVFRHQNI-UHFFFAOYSA-N 439.222 -0.048 50 10 IBGE Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc1 1617925943 NFBLYCVHJPZOPD-UHFFFAOYSA-N 431.540 -0.654 50 10 IBGE CO[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 1672938080 GKQDEYJRLUMNGK-GOEBONIOSA-N 428.511 -0.003 50 10 IBGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1COCCO1 745979110 ZLTZSSMXJAGVIQ-HNNXBMFYSA-N 433.508 -0.414 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n(C)c1=O 765729470 BWIFBBRWEVGEFI-QWRGUYRKSA-N 432.387 -0.337 50 10 IBGE Cn1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1-c1ccccc1 766641442 YBQBDSHDLIACQB-UHFFFAOYSA-N 435.444 -0.100 50 10 IBGE CN1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920812388 ZAUQDSWLEUROBZ-HNNXBMFYSA-N 425.511 -0.254 50 10 IBGE O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1156184412 SCCPKQMRMARJSK-OAHLLOKOSA-N 431.424 -0.112 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)N[C@@H]1CCc2nnnn2CC1 1312885625 ZBAFWLOMLRSGOY-MRXNPFEDSA-N 427.513 -0.079 50 10 IBGE CS(=O)(=O)N1CC[C@@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 1565012578 QGXREKQDESIRFH-MRXNPFEDSA-N 438.554 -0.437 50 10 IBGE NS(=O)(=O)c1ccc(O)c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 1566973859 OWSQCASLXLEPMT-UHFFFAOYSA-N 442.313 -0.520 50 10 IBGE CO[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1622153650 NOBYIMMZUROEHF-QGZVFWFLSA-N 434.493 -0.052 50 10 IBGE Cc1nc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)ncc1B(O)O 2189866546 XSXKHXLRFHFWNU-KRWDZBQOSA-N 436.230 -0.769 50 10 IBGE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884352 XJGABCJSKSPSAS-ASSNKEHSSA-N 437.460 -0.013 50 10 IBGE C#Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 1209898321 VCABSEIEKSXQMM-UHFFFAOYSA-N 429.824 -0.079 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC(=O)N(C)C3)nc2)CC1 739051913 MCNWSCYNNUVPRX-CYBMUJFWSA-N 425.515 -0.735 50 10 IBGE Cn1cc(N2CCN(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)CC2=O)cn1 793216456 BLGFFWGOYPBZBE-UHFFFAOYSA-N 429.437 -0.264 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1139085262 SAHVORVQHGUBQI-UHFFFAOYSA-N 432.524 -0.893 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2COCCN2C)c1 1234559169 OJCCFVANUHYMGE-OAHLLOKOSA-N 427.527 -0.008 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@]3(C)CCS(=O)(=O)N3)cc2)CC1 1636680452 IILFDIXLXHQENV-KRWDZBQOSA-N 445.567 -0.462 50 10 IBGE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1652301859 RNNMXDXOJVOUSF-CORIIIEPSA-N 446.551 -0.824 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 744641389 JLGHQKDXORRWCM-CQSZACIVSA-N 433.870 -0.463 50 10 IBGE CC(C)n1nc(C(=O)NNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 810467006 UVHBPLHQBRPZJF-KTKRTIGZSA-N 438.444 -0.151 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)cc1O 1160732719 CJQSFWZOTQWFDZ-LURJTMIESA-N 427.220 -0.305 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)/C=C2\SCC(=O)N2C)CC1 1306648086 AOOQSJSQZPROTO-GDNBJRDFSA-N 426.524 -0.493 50 10 IBGE NC(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1565068230 DTKYBQCHWMPNNE-IBGZPJMESA-N 445.568 -0.131 50 10 IBGE CC1=NS(=O)(=O)N(C)C=C1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1618614858 LOLIZMKFDUQDCU-UHFFFAOYSA-N 443.507 -0.314 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)n[nH]1 2243420395 RPTSAVVFXNBENI-UHFFFAOYSA-N 427.267 -0.763 50 10 IBGE COc1cc(/C=N/Nc2nnc(SCC(=O)NNC(C)=O)n2N)cc(OC)c1OC 20920245 MHPMXSXJVISRJN-CNHKJKLMSA-N 438.470 -0.277 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCN2Cc2ccccc2)n(C)c1=O 766633341 AYNRRSGKKNTSBE-HNNXBMFYSA-N 439.476 -0.754 50 10 IBGE CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1622166603 ZLSWCJHYJUJTKM-CQSZACIVSA-N 445.973 -0.067 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@@H]3CNC(=O)C3)nc2)CC1 1675810932 ZNXKORUWRAMTMC-ZDUSSCGKSA-N 425.515 -0.830 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1ncc(B(O)O)s1 2089785662 ACWQLNINYJADIW-UHFFFAOYSA-N 437.308 -0.291 50 10 IBGE COc1ccc(C(C)(C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766633990 CWMVBEVZZDXUCX-UHFFFAOYSA-N 428.449 -0.433 50 10 IBGE Cn1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(I)n1 1625567239 FPAUMCALQXNCRS-ZCFIWIBFSA-N 427.224 -0.844 50 10 IBGE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)Cc2ccsc2B(O)O)C1 2282735478 BAUWOGKFLAMXFR-AREMUKBSSA-N 438.358 -0.025 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2COCCO2)ccc1Br 744646558 QUULPDUALAQUAB-NSHDSACASA-N 436.284 -0.124 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2nnc3n2CCC3)cc1 754927482 QYWRDXZLOGZBIS-UHFFFAOYSA-N 435.510 -0.274 50 10 IBGE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1=O 1131722731 HUACDSKXKHYRPN-PIGZYNQJSA-N 425.804 -0.328 50 10 IBGE Cn1cc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)CBr)CC3)CC2=O)cn1 1137881817 DXBMDUYMIHEBDZ-NSHDSACASA-N 434.316 -0.401 50 10 IBGE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1303882975 MCRJXTJLVYMYFC-HOTGVXAUSA-N 425.530 -0.062 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN(CC(F)F)C3)nc2)CC1 1478844249 MJEZCBZYJZKRJJ-CYBMUJFWSA-N 447.512 -0.017 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)n(C)c1=O 1635500893 QRMJDZGQCXHXKU-ZIAGYGMSSA-N 428.424 -0.086 50 10 IBGE COc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 1651320097 NTIFWAZMZXTGMQ-PWSUYJOCSA-N 427.508 -0.557 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(B(O)O)s1 2108235020 UBFZJGPBKWCAPL-QGZVFWFLSA-N 440.283 -0.128 50 10 IBGE COCCOc1ccc(C=C(C#N)C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2325118031 HHUXEHWPJBDAHM-IAGOWNOFSA-N 438.458 -0.310 50 10 IBGE Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)[C@@H]3COCCO3)c(Br)cc21 745979382 NVTLSHOHVFGBKR-NSHDSACASA-N 449.283 -0.636 50 10 IBGE COc1ccc(CCNC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764512609 DNDDBDLJBNXBQR-UHFFFAOYSA-N 445.505 -0.820 50 10 IBGE CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1253773190 LJINMOBFBUCLQH-LBPRGKRZSA-N 427.483 -0.177 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(O)n3C)CC2)cc1 1465790332 LNMPPMVWWQJDNI-UHFFFAOYSA-N 436.494 -0.798 50 10 IBGE COC(=O)[C@@H]1O[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C[C@H]1C 1558940439 VSZAFZBRARROBX-UMVBOHGHSA-N 441.510 -0.573 50 10 IBGE CN(CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287309849 XSEVFVRKIVOFFK-RYUDHWBXSA-N 425.935 -0.579 50 10 IBGE COc1ccc2c(c1)[C@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 762085203 AEZZPBRIVUYLQY-CYBMUJFWSA-N 426.433 -0.680 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cnn(C)n3)CC2)cc1 1622153937 ZQIULGFJMVNIBA-UHFFFAOYSA-N 449.537 -0.790 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)[C@@H]1CCC(=O)N1 1630431276 CMTJCFNGVWWOLH-LURJTMIESA-N 425.286 -0.785 50 10 IBGE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)Cc2ncsc2B(O)O)C1 2255760379 PPVDJJZRSNJPPK-UHFFFAOYSA-N 425.297 -0.395 50 10 IBGE O=S(=O)(NC[C@H]1CNCCN1Cc1ccccc1)c1cc(Cl)c(B(O)O)s1 2282373962 UUVHJGDYPQMRGO-CYBMUJFWSA-N 429.760 -0.166 50 10 IBGE CC(C)O[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 794392136 GPTUASMBFMOWBU-INIZCTEOSA-N 428.449 -0.253 50 10 IBGE COc1cc2c(cc1OC)CN(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)CC2 1292038397 FCZVZFHCOBDKPS-AWEZNQCLSA-N 426.495 -0.421 50 10 IBGE CCOC(=O)C[C@@H](O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1294602263 AGDFJCIQOAHYNI-MRXNPFEDSA-N 426.901 -0.081 50 10 IBGE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)c1 1444264623 QKDZAETYCJXUGB-UHFFFAOYSA-N 434.254 -0.493 50 10 IBGE CC[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H](C)O 1641363490 ICEMBNBCZCHWKI-WBVHZDCISA-N 426.539 -0.144 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1648592708 MNDWFODJOSMQBW-CQSZACIVSA-N 445.567 -0.324 50 10 IBGE COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 728951503 DLEZCRIYOVJOJP-YJBOKZPZSA-N 433.509 -0.110 50 10 IBGE O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1136389862 MJMRUSAHZQQWPB-QMMMGPOBSA-N 425.389 -0.508 50 10 IBGE CN(C)S(=O)(=O)N(C)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1540354573 ZOJUTNQSUPCNAL-UHFFFAOYSA-N 426.543 -0.916 50 10 IBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1627448496 OQXXRYXBPQHLOW-CVXDAYKESA-N 431.511 -0.160 50 10 IBGE CCC[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)S(N)(=O)=O 1630996665 PMKSKQKKNHBHJM-KRWDZBQOSA-N 425.555 -0.283 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2cc(B(O)O)nn2C)C[C@@H](C)N1C(=O)OCc1ccccc1 2282698330 AXCZARACVFGLMB-ZIAGYGMSSA-N 436.299 -0.480 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc([C@@H]3CCCOC3)c2)n(C)c1=O 766562832 GMGNYLNULHFGAL-OAHLLOKOSA-N 440.460 -0.211 50 10 IBGE C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 790487809 RAQKIVQTPZNQQH-HXUWFJFHSA-N 448.501 -0.155 50 10 IBGE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1157588249 HXEJDZHAKQDWSG-GJZGRUSLSA-N 439.513 -0.092 50 10 IBGE Cn1ncc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1I 1472527151 DAKXRQOJMWJWPZ-UHFFFAOYSA-N 428.190 -0.389 50 10 IBGE CN(C)C(=O)Cn1cc(C(=O)NNC(=O)COc2ccccc2Br)nn1 1533760099 PKSDCUYLVXKHBK-UHFFFAOYSA-N 425.243 -0.031 50 10 IBGE COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)[C@H]1C[C@@H](O)C1)N(S(C)(=O)=O)CC2 1558902552 PNOBOJQZMNBGHA-GUTXKFCHSA-N 441.506 -0.129 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nn(C)cc3C)CC2)cc1 1566278458 DULDFDYVGKIYFV-UHFFFAOYSA-N 434.522 -0.196 50 10 IBGE CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)s1 1635371704 HUDGNJPABVHCCF-CQSZACIVSA-N 430.552 -0.146 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N[C@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2282072849 AYIXJHIRTBCUDL-GOSISDBHSA-N 436.299 -0.431 50 10 IBGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCCN1CCNCC1 217263371 LVLWGCPWSYMTLL-MNDPQUGUSA-N 426.521 -0.038 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1294208999 PADZKPZUPRWSMU-OLZOCXBDSA-N 447.535 -0.150 50 10 IBGE Cn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2ccccc2)n1 772808112 AOMWAUIROKKASH-UHFFFAOYSA-N 436.432 -0.705 50 10 IBGE CO[C@H]1CCn2cc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)nc2C1 1160865232 KQEBYPGGECMYAW-AWEZNQCLSA-N 449.537 -0.068 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCNC2=O)c1 1684157793 NDSUIUCPPMZSQV-UHFFFAOYSA-N 426.499 -0.314 50 10 IBGE Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766642330 FGIOYVUHRMXAKK-UHFFFAOYSA-N 439.476 -0.196 50 10 IBGE Cc1c(C=NNC(=O)[C@@H]2COCCO2)c2ccccn2c1C=NNC(=O)[C@@H]1COCCO1 771878791 MIRUTGBBQMSHJD-OALUTQOASA-N 443.460 -0.021 50 10 IBGE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C1=O 1156183963 JOBFWMAHXNRCLF-HOTGVXAUSA-N 438.525 -0.033 50 10 IBGE O=C(NNC(=S)NCCc1cccs1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1290439761 QZUALHYXXPTHJH-VXGBXAGGSA-N 430.577 -0.179 50 10 IBGE COc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 1651320098 NTIFWAZMZXTGMQ-ZYHUDNBSSA-N 427.508 -0.557 50 10 IBGE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282359278 LRZKLBOGMRTQOM-VIFPVBQESA-N 443.114 -0.163 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(=O)N2CCC(O)CC2)c1 1135502855 UONKVMNKIFFPKK-UHFFFAOYSA-N 426.495 -0.539 50 10 IBGE COC1(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CS(=O)(=O)C1 1137303974 CSLTXYQIYTYBRK-UHFFFAOYSA-N 444.941 -0.581 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncsc2C(F)(F)F)n(C)c1=O 792236828 CWKBSNKWMCEUMA-UHFFFAOYSA-N 431.356 -0.630 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@H]1CCS(=O)(=O)N1 1294603217 PBMGGCFWYWYSDQ-OAHLLOKOSA-N 429.930 -0.703 50 10 IBGE O=C(NNC(=O)c1ccc(NCCN2CCOCC2)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 1597426408 RTXJYYBBJJUXFU-CQSZACIVSA-N 443.501 -0.299 50 10 IBGE CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCN3C3CCOCC3)cc2S1(=O)=O 1635371512 DXUXMKKGGDOTRW-HNNXBMFYSA-N 436.490 -0.135 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1648386366 INCAWUIQOSHURP-AWEZNQCLSA-N 448.505 -0.450 50 10 IBGE CCc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cnc2c1c(=O)n(C)c(=O)n2C 753887133 CANYNUXRDABEJQ-UHFFFAOYSA-N 425.401 -0.002 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1557733975 CSWSGWONEGABQC-UHFFFAOYSA-N 442.313 -0.691 50 10 IBGE O=C(NCCS(=O)(=O)N1CCCC1)NNC(=O)c1csc(N2CCOCC2)n1 1684367188 DIDOVRMXFZEKKM-UHFFFAOYSA-N 432.528 -0.651 50 10 IBGE COc1ccc(C(=O)Cn2c(CSCC(=O)NN)nc3c2c(=O)[nH]c(=O)n3C)cc1 36075925 ZEXMSGBBHVQPPR-UHFFFAOYSA-N 432.462 -0.462 50 10 IBGE O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)[C@H]1COCCO1 745408991 YPKYSYDTCJBNIG-GFCCVEGCSA-N 434.496 -0.985 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2n[nH]cc2B(O)O)C1 2247885208 HGYRZZHGIWRVGR-UHFFFAOYSA-N 430.270 -0.286 50 10 IBGE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282735610 DFBLHLMMPGZZBR-AREMUKBSSA-N 439.346 -0.630 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2Cn2cccn2)n(C)c1=O 766641617 AYPUXVFHDNTTDW-UHFFFAOYSA-N 436.432 -0.860 50 10 IBGE CS(=O)(=O)N1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793215237 HJWXVCOAVOHCMC-UHFFFAOYSA-N 427.483 -0.379 50 10 IBGE CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 1080323656 AGUIIAAUAJXAGH-OAHLLOKOSA-N 426.454 -0.783 50 10 IBGE O=C1COc2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c(Br)cc2N1 1116533670 HRYALXMGFVXNIL-ZETCQYMHSA-N 432.252 -0.024 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3[C@H]4CCC(=O)[C@H]43)CC2)cc1 1465790769 UCOBAMMDILKVDX-ZYSHUDEJSA-N 434.518 -0.326 50 10 IBGE CO[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)N(C(=O)OCc2ccccc2)C1 1539401702 JPTOITSQQRGPTK-XHSDSOJGSA-N 439.490 -0.005 50 10 IBGE O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1COCCO1 744649025 JWXKMCXEZVAKPB-LBPRGKRZSA-N 436.284 -0.320 50 10 IBGE CC(C)c1ccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765721711 GIWHJVVYLYWQRY-UHFFFAOYSA-N 428.449 -0.217 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@H]2CCCS2(=O)=O)CC1 1182822092 FNLPEUTVDNDOSQ-CYBMUJFWSA-N 431.540 -0.572 50 10 IBGE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)CN3CCCC3=O)n(C)c2)C1 1557977576 GYTSKISMMKKCJQ-CYBMUJFWSA-N 425.511 -0.171 50 10 IBGE CC[C@@H](O)Cn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1 1629793268 PETNSZYXAYBSHI-MRXNPFEDSA-N 429.481 -0.732 50 10 IBGE O=C([C@@H]1C[C@@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)CBr)CC1 1631772571 MYMOCAVCFIKTQU-NEPJUHHUSA-N 434.316 -0.757 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(B(O)O)s1)OCc1ccccc1 2267204655 HLNZNXVZARWXCJ-KBPBESRZSA-N 440.308 -0.210 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CC1 1633978906 NHTYBPVBWIZYIR-QGZVFWFLSA-N 432.525 -0.252 50 10 IBGE COCC#CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1648407273 OUSZWPHJABIRNF-HNNXBMFYSA-N 439.490 -0.250 50 10 IBGE Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 763530169 DZSHRINYPMPZRB-UHFFFAOYSA-N 440.504 -0.008 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2282426207 ZJSJDDXAXDMATF-UHFFFAOYSA-N 440.378 -0.716 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 816886398 WOZDZMYWTMHIGO-OLZOCXBDSA-N 426.433 -0.188 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1531048825 MLWLJLISWXKJDX-UHFFFAOYSA-N 432.524 -0.486 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(B(O)O)cc1 2164493792 QRXKWDXNXFFHIG-IBGZPJMESA-N 434.254 -0.190 50 10 IBGE CCNC(=O)N1CC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 761781389 XNJMQEAMFYEENM-CQSZACIVSA-N 440.526 -0.250 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Br)o2)n(C)c1=O 765724114 HWUCMKVYLVUETP-UHFFFAOYSA-N 425.199 -0.750 50 10 IBGE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)C2=O)cc1 816881730 NZZLKSMJDQCPSH-XCLFUZPHSA-N 425.449 -0.236 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(F)CCOCC3)CC2)cc1 1137298896 FYHLEHYTNNFKTF-UHFFFAOYSA-N 442.513 -0.033 50 10 IBGE NS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1F 1152746305 RNNAQSTYJWZWIE-UHFFFAOYSA-N 444.304 -0.087 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(B(O)O)cc2)C1 1154555943 GYXBWLQNJGHWIU-HNNXBMFYSA-N 426.300 -0.480 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2282073975 RDFVBCVVWHWOFX-HNNXBMFYSA-N 436.299 -0.573 50 10 IBGE C[C@@H](CCc1ccc(F)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1465790206 IEBLKEKBEMHKQW-LBPRGKRZSA-N 430.440 -0.011 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[C@H]1c1nccn1C 1353964849 PCUHLFKAGZDPDS-IRXDYDNUSA-N 429.433 -0.059 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1566278958 XQAMZAUAZPUZBH-INIZCTEOSA-N 441.492 -0.466 50 10 IBGE O=C(c1cc(B(O)O)ccc1F)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1641936927 QOHDLSBWUFZGQL-UHFFFAOYSA-N 435.286 -0.758 50 10 IBGE C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 766641932 CYUPRRRKCLFQOW-YPMHNXCESA-N 428.449 -0.070 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 790482776 DEBCMOYQKLFISN-IBGZPJMESA-N 436.490 -0.624 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCO[C@@H]3CCOC3)nc2)CC1 1251221173 NWXLGNFPAWVJGN-CQSZACIVSA-N 428.515 -0.551 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCN3C=O)CC2)cc1 1294587846 OIIWDPIYPWPEPV-QGZVFWFLSA-N 437.522 -0.930 50 10 IBGE CC1=NS(=O)(=O)N(C)C=C1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1538484326 KLPOQPIPKVZLKM-UHFFFAOYSA-N 434.522 -0.119 50 10 IBGE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=S)NCC2CCC2)s1 1557271729 JYXUDQDZSVELFN-UHFFFAOYSA-N 433.581 -0.042 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1624409752 IETOXPBUEJRRCL-GFCCVEGCSA-N 443.551 -0.439 50 10 IBGE CCOC(=O)C1([S@@](C)=O)CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 1654480033 VNZCEOZJPRFZON-MUUNZHRXSA-N 430.552 -0.082 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C#N)=Cc1cccc(Br)c1 2324521735 QKPFAWNNLAVRKK-XUWVNRHRSA-N 429.267 -0.750 50 10 IBGE C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 9635024 OQYLIESPWVBLJS-ZLLWPXDZSA-N 438.418 -0.413 50 10 IBGE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)CC2=O)C1 1251436490 FZVNUOMDIFYAMF-SGTLLEGYSA-N 445.542 -0.412 50 10 IBGE O=C(Cc1ccccn1)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1312829522 FWSWZZGBDYUDME-UHFFFAOYSA-N 447.473 -0.201 50 10 IBGE C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(=O)(=O)C1CCOCC1 1359998572 DEXIKYMBMIFEII-CYBMUJFWSA-N 425.511 -0.177 50 10 IBGE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 1445055581 ZCPFTNOMROSHNH-KGLIPLIRSA-N 447.897 -0.564 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)Cc1nnc2n1CCN(C)C2=O 1644475050 QRXAYPUCTKSGFT-UHFFFAOYSA-N 435.872 -0.081 50 10 IBGE O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@@H]1COCCO1 746023282 ZDTCMSBMFNBAGI-NSHDSACASA-N 433.202 -0.416 50 10 IBGE CCc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C 754450760 MHRALKUOAZHCTF-STQMWFEESA-N 446.508 -0.545 50 10 IBGE Cn1ccc(=O)c(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1124302423 HFWDAEIGKMYJOU-UHFFFAOYSA-N 448.501 -0.200 50 10 IBGE O=C(NNC(=O)C1CN([C@H]2CCOC2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558898961 MSDHFKNJZIXPGS-INIZCTEOSA-N 438.506 -0.811 50 10 IBGE COc1ccc(CC(=O)NNC(=O)C2CCOCC2)cc1S(=O)(=O)N1CCOCC1 1583257608 RFCOGTUAXHYWQE-UHFFFAOYSA-N 441.506 -0.167 50 10 IBGE C[C@@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C)CC1 1685806362 SNBHLTSCVQGANO-AWEZNQCLSA-N 426.543 -0.483 50 10 IBGE O=C(NNc1ncc(Br)cn1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1143668972 JEASILCJJYBDPX-SECBINFHSA-N 431.272 -0.152 50 10 IBGE CS(=O)(=O)SCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1558071531 KBRSCSOTCVRROW-JHJVBQTASA-N 426.582 -0.095 50 10 IBGE O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@@H]1CCN(C2CCOCC2)C1=O 1684314920 NUTKLJCLCJAXEV-CYBMUJFWSA-N 438.510 -0.296 50 10 IBGE Cn1ccnc1CN1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 782998400 GSTMMWBRVKGSHZ-GFCCVEGCSA-N 433.494 -0.267 50 10 IBGE COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)[C@H]1COCCO1 811687310 NVACHMQAGARQEY-LLVKDONJSA-N 437.268 -0.111 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3c(F)cccc3F)CCC2)n(C)c1=O 1465790770 UFUJLMBYRLBYIW-UHFFFAOYSA-N 446.414 -0.019 50 10 IBGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)CN1CCCC1=O 1587515851 ABMWAVDCCKRFLR-CYBMUJFWSA-N 425.486 -0.338 50 10 IBGE CCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1CC(C)C 756002136 FPSBHPUJQXUMGH-UHFFFAOYSA-N 430.469 -0.690 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1139092210 AGRBPVBAIXEZON-UHFFFAOYSA-N 425.511 -0.566 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)C1CCOCC1 1153078537 GXGWIZDIVOHPGN-OAHLLOKOSA-N 441.506 -0.198 50 10 IBGE O=C(/C=C\Cn1cncn1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1618796426 XXTHOTOMJIZGJN-UPHRSURJSA-N 448.505 -0.365 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)n(C)c1=O 1635500890 QRMJDZGQCXHXKU-KBPBESRZSA-N 428.424 -0.086 50 10 IBGE COCCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1307566681 KXQDSVRQVMNWBV-OAHLLOKOSA-N 443.522 -0.010 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 1641071563 NJKYWHRDQAYQDD-CQSZACIVSA-N 436.494 -0.295 50 10 IBGE COC(=O)[C@@H](I)CNS(=O)(=O)c1nnc(NC(C)=O)s1 234616793 URCKXRFYEHAFAQ-YFKPBYRVSA-N 434.237 -0.249 50 10 IBGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 744642982 MQWZVMRUMMQUES-MRXNPFEDSA-N 445.494 -0.854 50 10 IBGE COCC(=O)NNC(=O)CSc1nnc(NN=Cc2c(C)nn(C(C)C)c2C)n1N 1083956769 WFTHURPRVCAMHV-UHFFFAOYSA-N 438.518 -0.282 50 10 IBGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1 1326111694 MSMLXRQIQUEAJQ-OAHLLOKOSA-N 447.583 -0.080 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc2)CC1 1583795609 CAVYQXZHDBFMCV-KRWDZBQOSA-N 438.506 -0.131 50 10 IBGE C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1627448499 OQXXRYXBPQHLOW-ZIVKBKJYSA-N 431.511 -0.160 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cccc(B(O)O)c1)OCc1ccccc1 2282723209 OMVAIAWONZNENM-ZWKOTPCHSA-N 434.279 -0.271 50 10 IBGE CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)c1=O 1558458281 DWFJEZCDBRXIQO-QGZVFWFLSA-N 429.477 -0.416 50 10 IBGE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728951270 FLMWHEGXKKGTMD-CQSZACIVSA-N 434.497 -0.185 50 10 IBGE CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1166782110 YCJPSXKTNHAMTK-UHFFFAOYSA-N 447.540 -0.005 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@@H]2CCCS2(=O)=O)CC1 1182822095 FNLPEUTVDNDOSQ-ZDUSSCGKSA-N 431.540 -0.572 50 10 IBGE Cc1cc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)nn1C 1248475947 YEUPJEYDBQTZTO-UHFFFAOYSA-N 436.542 -0.072 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cccc(F)n2)c1 1287261671 YGIHBJFWGKJUHS-UHFFFAOYSA-N 425.442 -0.126 50 10 IBGE CN(CCN(C)C(=O)c1cc(B(O)O)ccc1F)CCN1C(=O)c2ccccc2C1=O 1468606435 AOCQQBJNRSZMRA-UHFFFAOYSA-N 427.241 -0.195 50 10 IBGE COC[C@@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1587964842 WBPDWFGGFIMSCG-MRXNPFEDSA-N 428.511 -0.890 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1633324203 KASMLWYIGMRLTI-UHFFFAOYSA-N 446.313 -0.203 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1639935295 TXCRWTRJVPXBSZ-UMVBOHGHSA-N 441.506 -0.199 50 10 IBGE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267383874 GGXAEKIWLKCUJM-UHFFFAOYSA-N 428.725 -0.099 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@H](O)[C@@H]2O)N(C)C1 256072867 XSLGFIQRVCXUEU-WMKFLYOISA-N 440.990 -0.595 50 10 IBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc(I)c(O)c1 1440706068 TZKIKEAMGVMZEW-LURJTMIESA-N 425.204 -0.413 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1471964344 GUNOQYHKNKPEQH-GFCCVEGCSA-N 425.467 -0.359 50 10 IBGE O=C(CN1CCCc2ccccc21)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746386935 XRGBCWJYNCDWDC-SFHVURJKSA-N 429.521 -0.233 50 10 IBGE Cc1ccnn1-c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765721564 CVIGXRKLFQFOJW-UHFFFAOYSA-N 436.432 -0.611 50 10 IBGE O=C(NCC1(N2CCOCC2)CCOCC1)NNC(=O)C1CCN(c2ncccn2)CC1 1312837061 DXESJUJJPMLYBU-UHFFFAOYSA-N 447.540 -0.095 50 10 IBGE C[C@H]1CCN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1685507062 UXTQNQCRCRCDFV-HNNXBMFYSA-N 439.538 -0.007 50 10 IBGE COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 728951501 DLEZCRIYOVJOJP-MAUKXSAKSA-N 433.509 -0.110 50 10 IBGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 789030111 HMIQTRVWQMLCMG-HKUYNNGSSA-N 431.493 -0.030 50 10 IBGE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267391887 TWZQIBIDBFQZGB-ZDUSSCGKSA-N 428.725 -0.365 50 10 IBGE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 804867884 NRMCKUBSFHQTHU-GFCCVEGCSA-N 446.555 -0.262 50 10 IBGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1 1279011410 NPJPVHDJRDCCQW-UHFFFAOYSA-N 428.421 -0.045 50 10 IBGE CCn1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 1465790259 JAJHDOXOWFVBGT-UHFFFAOYSA-N 434.522 -0.021 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1557978916 VOVPHQFCJPCZAS-OAHLLOKOSA-N 428.449 -0.694 50 10 IBGE Cc1ccccc1OC[C@H](O)Cn1c(SCC(=O)NN)nc2c1c(=O)n(C)c(=O)n2C 606629517 ACCLAGDAZZDDMX-GFCCVEGCSA-N 448.505 -0.736 50 10 IBGE CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 725389064 XSLGFIQRVCXUEU-ZOPSOIQOSA-N 440.990 -0.595 50 10 IBGE C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CN(C)CCN1C 1313423681 GNWGQWKVCMMGCK-BBRMVZONSA-N 426.543 -0.485 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C12CCN(CC1)C2 1587280696 ZBSQIXOXLQOPGD-UHFFFAOYSA-N 436.534 -0.117 50 10 IBGE C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673443010 OHJCLMKEVVHAMN-SMDDNHRTSA-N 440.478 -0.414 50 10 IBGE CN(C[C@@H](O)CN(C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(=O)OC(C)(C)C 2282723362 DNPXOMIMLNBISY-SECBINFHSA-N 442.752 -0.070 50 10 IBGE C[C@H](CCc1ccc(F)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1465790201 IEBLKEKBEMHKQW-GFCCVEGCSA-N 430.440 -0.011 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2)CC1 1529790425 SEJHKIACDWBMFM-GUYCJALGSA-N 438.506 -0.275 50 10 IBGE CNC(=O)CN(CC(=O)NC)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 1594592979 LBJLAHAKDLNUFW-UHFFFAOYSA-N 426.477 -0.022 50 10 IBGE CCON(CC)C(=O)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1682752874 ADSZJTFCNWMRKZ-UHFFFAOYSA-N 443.530 -0.556 50 10 IBGE CC(=NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 793131994 RGZRGRIJWOQOOL-INIZCTEOSA-N 431.522 -0.025 50 10 IBGE CO[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 1654359856 SAKOLYRBPSIKOC-AWEZNQCLSA-N 443.526 -0.183 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 744641717 KSQJAXHKGYTHBZ-LLVKDONJSA-N 443.386 -0.078 50 10 IBGE Cc1ccc(C)c(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765726416 BDINEQREHPUTRF-UHFFFAOYSA-N 428.449 -0.333 50 10 IBGE C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 790462199 JXWQVHUDTKQFIH-QFIPXVFZSA-N 427.505 -0.041 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866367715 IOYPWXWQBPDJIE-QNNYGZSPSA-N 429.267 -0.750 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 741709173 BQOXKWUBEHZDPE-CQSZACIVSA-N 426.420 -0.014 50 10 IBGE Cc1ccc(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765729841 HUXKPFNNOFIAPQ-UHFFFAOYSA-N 428.449 -0.333 50 10 IBGE O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 816877958 HFLDNPOXZVJCJY-KRWDZBQOSA-N 441.492 -0.058 50 10 IBGE O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCc2nncn2C1 816884535 BLJFEDRLTRGVQS-JSGCOSHPSA-N 426.433 -0.188 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1182609382 LWCIEVWHXFXSOQ-VIFPVBQESA-N 444.311 -0.158 50 10 IBGE CN(C)N(C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1625795410 PZNCJJFFFFASRS-CABCVRRESA-N 428.486 -0.779 50 10 IBGE O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(I)cc1-n1cnnn1 1628733602 DBINQAWNGVBJGW-UHFFFAOYSA-N 438.189 -0.006 50 10 IBGE C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N 98064524 SWMRTFKBKYMPSK-IUXPMGMMSA-N 439.356 -0.400 50 10 IBGE CN(C)CCN(/C=C(/C#N)C(=O)NCCCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 216762326 ASKRNJDTUQITOP-WAIALKQBSA-N 425.555 -0.427 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)cc1 780646313 KLOCFIOSTUNFMT-BHIYHBOVSA-N 436.534 -0.126 50 10 IBGE COc1cccc2c1[C@@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 815826918 FORKQSSTUXVHKQ-LBPRGKRZSA-N 426.433 -0.680 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C=O)n3C)CC2)cc1 1545424118 MUAKFUXGVWMAJZ-UHFFFAOYSA-N 447.517 -0.086 50 10 IBGE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 748278422 ACFITTSAWISOTB-KRWDZBQOSA-N 434.474 -0.189 50 10 IBGE CN(CC(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1 1178353674 IOAVHSGJAYUESF-ZDUSSCGKSA-N 427.483 -0.141 50 10 IBGE CNC(=S)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1642163410 XAYNXJPWEYRMNW-TZIYXEQSSA-N 448.592 -0.153 50 10 IBGE C[C@@H]1CCCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 740706266 UOWNETMNKWPOLO-CQSZACIVSA-N 446.551 -0.081 50 10 IBGE O=C(NNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)[C@@H]1COCCO1 754215123 MFXKYLHJMUXVAE-RDJZCZTQSA-N 438.506 -0.001 50 10 IBGE CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 1080323655 AGUIIAAUAJXAGH-HNNXBMFYSA-N 426.454 -0.783 50 10 IBGE CO[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCOC1 1252899655 HIALZUZDTQJRKD-GDBMZVCRSA-N 442.542 -0.305 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(S(=O)(=O)NC(C)C)CC1 1645620244 WCMVBMSDYSHFJA-UHFFFAOYSA-N 447.945 -0.030 50 10 IBGE C/C(N)=C(/C#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 9635025 OQYLIESPWVBLJS-QCJAFOTDSA-N 438.418 -0.413 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 1313425518 PATILYLFTOSICW-OCCSQVGLSA-N 425.559 -0.134 50 10 IBGE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(c2ncc(Br)cc2B(O)O)CC1 2240334397 WGSAXJQEIYVJSI-UHFFFAOYSA-N 443.107 -0.127 50 10 IBGE CCNC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 761789944 GSIITTAJCILCFE-CYBMUJFWSA-N 426.499 -0.315 50 10 IBGE COc1ccc2c(c1)[C@@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 762085204 AEZZPBRIVUYLQY-ZDUSSCGKSA-N 426.433 -0.680 50 10 IBGE Cn1cc(/C=C/C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 773410332 AMJSVBZZIHMQAJ-XEHSLEBBSA-N 435.481 -0.108 50 10 IBGE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 804867885 NRMCKUBSFHQTHU-LBPRGKRZSA-N 446.555 -0.262 50 10 IBGE COc1nccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1521832798 HSIIJHRIGIGYMV-UHFFFAOYSA-N 449.489 -0.100 50 10 IBGE CN(C)S(=O)(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1566281520 MSVLCKFFQVUFDH-UHFFFAOYSA-N 446.961 -0.999 50 10 IBGE CCOC(=O)[C@H](CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)=O 1629792957 IZIJTDARAHYKCX-QGZVFWFLSA-N 432.477 -0.250 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2cscc2B(O)O)C1 2267387188 FYLPZDAKPOPVKT-CQSZACIVSA-N 440.308 -0.256 50 10 IBGE COc1cccc([C@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729812 HIHZOFAWBXEUOR-GFCCVEGCSA-N 428.449 -0.217 50 10 IBGE O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 814300164 IDPYCANLWLRWCY-KRWDZBQOSA-N 446.556 -0.105 50 10 IBGE CO[C@]1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCS(=O)(=O)C1 1147903840 ZPBCEDXGLIYJFQ-MRXNPFEDSA-N 433.508 -0.646 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)[C@H](C)CO)CC2)cc1 1299925711 JUCDWRZTWOPOCX-MRXNPFEDSA-N 426.539 -0.048 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1301697022 IOLGLGHWBPSCEB-UHFFFAOYSA-N 432.252 -0.373 50 10 IBGE C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C[C@@H](C)O1 1472475892 MUOYCKKZFGONJC-KFWWJZLASA-N 441.529 -0.289 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 1472517994 UUIKEYSIJRWETO-CYBMUJFWSA-N 431.540 -0.714 50 10 IBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1611085820 HBICCSRMKCMELW-ZFWWWQNUSA-N 440.522 -0.041 50 10 IBGE O=C(OCc1ccccc1)N1CC(CNS(=O)(=O)Cc2ncsc2B(O)O)C1 2255890934 RMPYIGVMOJYVGF-UHFFFAOYSA-N 425.297 -0.489 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2296040089 GVNJGLXQDPAUOG-OAHLLOKOSA-N 436.299 -0.512 50 10 IBGE Cn1cc(I)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 1142193190 JQOAAFMKQVPJSE-ZCFIWIBFSA-N 427.224 -0.844 50 10 IBGE CCO[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)CN(C)C 1565326329 UATBXMTXFDTWQX-HNNXBMFYSA-N 429.543 -0.087 50 10 IBGE O=C(N[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B(O)O)OCc1ccccc1 2255885243 MYLUNTIKFOARDW-STQMWFEESA-N 425.297 -0.300 50 10 IBGE CCOc1ccccc1CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725457 SHIORAYUFAOWFQ-UHFFFAOYSA-N 428.449 -0.387 50 10 IBGE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NNC(=O)CS(C)(=O)=O 1470661845 VFAAKMJKVCAOOX-UHFFFAOYSA-N 427.298 -0.033 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366751 QKPFAWNNLAVRKK-FLUJKDTBSA-N 429.267 -0.750 50 10 IBGE CC(C)(C)OC(=O)NCCCN(CCO)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2281100825 FXDRALSAMRAYEQ-STQMWFEESA-N 427.951 -0.284 50 10 IBGE CCCN(C)S(=O)(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765118114 JGPVZSPKITWIDD-UHFFFAOYSA-N 447.583 -0.491 50 10 IBGE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1546251723 HNVSMUUHVYNKRA-UHFFFAOYSA-N 444.329 -0.016 50 10 IBGE O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)[C@H]1C(=O)Nc2ccccc2C1=O 1556766904 XROZJDAZBMPGSM-WCABBAIRSA-N 433.364 -0.192 50 10 IBGE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)Cc1ncsc1B(O)O 2282849503 CAWUVANVSRGUGX-KOLCDFICSA-N 437.374 -0.407 50 10 IBGE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(=O)n(C)c2)C1=O 1134417265 MNHLCSYEQMHDAW-OAQYLSRUSA-N 441.444 -0.069 50 10 IBGE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)Cc3cc(C)[nH]n3)CC2)c1 1299907990 RFNNZEFREXYWHT-UHFFFAOYSA-N 434.522 -0.132 50 10 IBGE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1444184020 LLZARWSRTFIWME-UHFFFAOYSA-N 426.197 -0.066 50 10 IBGE Cc1nc(S(=O)(=O)N(C)[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)c(B(O)O)n1C 2282351109 WORINQBYEVCTEH-CABCVRRESA-N 436.299 -0.514 50 10 IBGE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2285413160 MMDLKBGONPAQKP-SECBINFHSA-N 442.752 -0.023 50 10 IBGE Cn1cc(C(=O)NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)ccc1=O 1179628718 MGACROPFMLGTHG-MRXNPFEDSA-N 438.444 -0.304 50 10 IBGE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 1641308357 LFHVCXOMYYIGRU-XLIONFOSSA-N 449.467 -0.074 50 10 IBGE Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(B(O)O)n1C 2282351112 WORINQBYEVCTEH-LSDHHAIUSA-N 436.299 -0.514 50 10 IBGE O=C(CN1CCCc2ccccc21)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914830643 MKZOKGCRXZNLMM-CVEARBPZSA-N 434.518 -0.378 50 10 IBGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccnnc2)cc1 1638269711 ICHIVSOVZQTWKV-UHFFFAOYSA-N 437.478 -0.165 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCSS(C)(=O)=O)c1 1650840830 ITWXJJFQNJRDMN-UHFFFAOYSA-N 425.554 -0.312 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@H](O)C1 2282731503 RHDIBOWWGFDLRX-SECBINFHSA-N 440.736 -0.316 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 814305166 FUACIUBACFWUQH-LSDHHAIUSA-N 427.465 -0.149 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)cn1 1135312324 HMHBIICGLNRVBY-GUYCJALGSA-N 429.433 -0.130 50 10 IBGE C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C[C@@H](C)O1 1472475897 MUOYCKKZFGONJC-ZNMIVQPWSA-N 441.529 -0.289 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H](O)C1CCC1 1628671612 FXJTTWHTTSINIR-SFHVURJKSA-N 425.507 -0.052 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc(B(O)O)s1)OCc1ccccc1 2267204656 HLNZNXVZARWXCJ-KGLIPLIRSA-N 440.308 -0.210 50 10 IBGE Cn1cc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)CBr)CC3)CC2=O)cn1 1137881816 DXBMDUYMIHEBDZ-LLVKDONJSA-N 434.316 -0.401 50 10 IBGE CCN1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O 1251285807 IRSPEWOIYVEZTI-CQSZACIVSA-N 439.494 -0.728 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(-c2cccnc2)nn1 1566278739 PHEQOJXIXSYHJU-UHFFFAOYSA-N 434.460 -0.119 50 10 IBGE O=C(NNC(=O)[C@@H]1CCN1C1CCOCC1)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1635375436 WQWHXLUDEJFIMZ-WDSOQIARSA-N 448.495 -0.269 50 10 IBGE CCO[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)[C@H]1CCOC1 1638390421 XOBKWQFBKMEMPV-HOCLYGCPSA-N 427.527 -0.098 50 10 IBGE Cn1nnc(Br)c1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Br 2121369216 RKOXRWUTEQJKJV-UHNVWZDZSA-N 438.123 -0.584 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(B(O)O)cc1)OCc1ccccc1 2282079061 QWJOYQHUISXTHH-ROUUACIJSA-N 434.279 -0.271 50 10 IBGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732473 VIGYUTDZHFCFNQ-NSHDSACASA-N 430.421 -0.943 50 10 IBGE Cn1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c(I)n1 1457682088 DESSOXXRLSJIJH-UHFFFAOYSA-N 428.190 -0.389 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1CC2(C1)CS(=O)(=O)C2 1587968406 FQJOLSCZRQUBJG-UHFFFAOYSA-N 434.518 -0.583 50 10 IBGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 1627321548 DINSSJDCAOVYSS-AWEZNQCLSA-N 447.558 -0.642 50 10 IBGE O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1646043777 DXFAUXKQPGHEJH-QGZVFWFLSA-N 445.524 -0.694 50 10 IBGE CC(=O)Nc1nnc(S(=O)(=O)NNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 1858082053 BYJHVAROFTYGLO-UHFFFAOYSA-N 449.515 -0.048 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)c[nH]1 2243398388 CZTMFSBMXQMADW-UHFFFAOYSA-N 426.279 -0.158 50 10 IBGE CN(Cc1ccccc1)C[C@@H](NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(=O)O 2284408418 WNUQHJDWQKXCFX-GFCCVEGCSA-N 432.716 -0.055 50 10 IBGE O=C1O[C@H]([C@@H](O)CO)C(=N/NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 15775092 DQSKDXHDAZGSHT-JOUCTDIPSA-N 442.384 -0.752 50 10 IBGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B(O)O)[nH]s1 2243676791 NINPJGLEMJFFLR-CYBMUJFWSA-N 435.315 -0.396 50 10 IBGE Cc1ccc(C)c(SCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765728931 AMRCNKWPUVEONN-UHFFFAOYSA-N 430.490 -0.010 50 10 IBGE O=C(NCCN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1565028641 QTPBYKUPVDHDBJ-UHFFFAOYSA-N 439.494 -0.726 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@H]2CCOc3ccccc32)n(C)c1=O 765724986 NEVFPHWMEGSYQA-GFCCVEGCSA-N 426.433 -0.463 50 10 IBGE C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 766641930 CYUPRRRKCLFQOW-DGCLKSJQSA-N 428.449 -0.070 50 10 IBGE CSC[C@H](C(=O)NNC(=O)[C@@H]1CCc2nncn2C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 816884764 IKQNYFUKRFFUIU-YIYPIFLZSA-N 434.522 -0.105 50 10 IBGE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(=O)n(C)c3)C2=O)cc1 1134635401 VQOSNOLPGMGADL-HXUWFJFHSA-N 427.417 -0.378 50 10 IBGE COc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1B(O)O 2296198098 IPXBQURQBVJPEE-UHFFFAOYSA-N 432.263 -0.519 50 10 IBGE COCCOc1ccc(C=C(C#N)C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2325118033 HHUXEHWPJBDAHM-SJORKVTESA-N 438.458 -0.310 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)CC1 748621028 WPUWFKIYCZTZMP-UHFFFAOYSA-N 438.510 -0.604 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)c1 1586905259 JXFNGTLTBLJBLN-CQSZACIVSA-N 448.505 -0.125 50 10 IBGE COc1ccc(S(=O)(=O)N2CC(NC(=O)NNC(=O)Cn3nc(C)cc3C)C2)cc1 1680945878 BVPSWRNGJUERBQ-UHFFFAOYSA-N 436.494 -0.088 50 10 IBGE Cn1cc(I)c(CNC(=O)NNC(=O)c2ccc(=O)n(C)c2)n1 1478629100 XJVXZMROUXVOAG-UHFFFAOYSA-N 430.206 -0.132 50 10 IBGE CCOC(=O)C1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCOCC1 802762332 BSWOUYHZBZAOTP-UHFFFAOYSA-N 446.504 -0.048 50 10 IBGE O=C(NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 917735714 ZBZJVGMNANVDRM-QMMMGPOBSA-N 429.398 -0.068 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)cn1 1360199220 UOXSJQBHSHAPTH-LBPRGKRZSA-N 434.478 -0.479 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccc3c(c2)CCC3)n(C)c1=O 766646129 WVYNPEPRUCKZMZ-UHFFFAOYSA-N 442.501 -0.138 50 10 IBGE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1 1290171117 AKLZDECONCNFLI-UHFFFAOYSA-N 446.290 -0.310 50 10 IBGE CCc1cnc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]1 1294587833 NSEMQPWTKKRLRG-UHFFFAOYSA-N 448.549 -0.023 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 1313425516 PATILYLFTOSICW-GXTWGEPZSA-N 425.559 -0.134 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[C@H]2CC(=O)N(C)C2)cc1 1676119120 VNLXCTNUGAQCTF-AWEZNQCLSA-N 425.511 -0.186 50 10 IBGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)NCCN3CCOCC3)ccc21 1857991488 MZOLFCVNIHLNEE-UHFFFAOYSA-N 425.511 -0.190 50 10 IBGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B(O)O)n[nH]2)C1 2255765186 MROWIXJKGIKYKZ-MRXNPFEDSA-N 443.313 -0.059 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2282713293 CLKFALJZNZYPDZ-UHFFFAOYSA-N 436.299 -0.573 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 912953168 TUJMBMQHBIRCTE-GXSJLCMTSA-N 447.311 -0.416 50 10 IBGE CC[C@H](NC(C)=O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1465790818 VWPSLRFBIFMTOS-KRWDZBQOSA-N 439.538 -0.637 50 10 IBGE C[C@H](C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1638811770 FUKASTPGWCTRFQ-KLVXDSBYSA-N 436.465 -0.306 50 10 IBGE Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCSC#N)[C@H]2SC1 21986206 MZEGLWXUYJNKNT-BXKDBHETSA-N 441.520 -0.355 50 10 IBGE CN1CCN(Cc2c(C(=O)NN=Cc3ccc(O)c(O)c3)nnn2-c2nonc2N)CC1 254567039 MXFKZMYFLGKSJA-UHFFFAOYSA-N 442.440 -0.845 50 10 IBGE CC(C)(C)OC(=O)COCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1137299194 MTCOPZRAVFUQBQ-UHFFFAOYSA-N 434.493 -0.050 50 10 IBGE C[C@H](NC(=S)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 1144119407 FBRITBVSRWLXIK-JQWIXIFHSA-N 425.536 -0.019 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@H]3CCN(C)C3)CC2)cc1 1622153655 NQWLSGGUCDUWED-KRWDZBQOSA-N 437.566 -0.209 50 10 IBGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1628913167 YDCUUSCLUBQCDZ-QWHCGFSZSA-N 431.511 -0.015 50 10 IBGE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)c1 745998404 IIGGPCWFKPFSAS-OAHLLOKOSA-N 426.495 -0.234 50 10 IBGE CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 763889147 ZJOMXYQZWLXNNI-UHFFFAOYSA-N 425.511 -0.245 50 10 IBGE O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)[C@@H]1C(=O)Nc2ccccc2C1=O 1556766903 XROZJDAZBMPGSM-KKZNHRDASA-N 433.364 -0.192 50 10 IBGE O=C(NNC(=O)c1nscc1I)N[C@H]1CCS(=O)(=O)C1 1597427012 YLZUQKYIMCNWDQ-YFKPBYRVSA-N 430.249 -0.121 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1624409753 IETOXPBUEJRRCL-LBPRGKRZSA-N 443.551 -0.439 50 10 IBGE CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCN2CCC3(C2)OCCO3)nc1 1684274781 YVJSBXNFQFJJMM-UHFFFAOYSA-N 428.515 -0.157 50 10 IBGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B(O)O)[nH]s1 2243676792 NINPJGLEMJFFLR-ZDUSSCGKSA-N 435.315 -0.396 50 10 IBGE CC[S@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741416800 ICEBBUMYVODKPN-MHZLTWQESA-N 432.524 -0.580 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)[C@H]1COCCO1 744641073 ACTVHSGZHODKKU-GFCCVEGCSA-N 441.384 -0.184 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 744642643 KTWJSFWUMKRPQV-CABCVRRESA-N 431.536 -0.042 50 10 IBGE O=C([C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)CBr)CC1 1152745141 CURMYUDDYBIMLD-CHWSQXEVSA-N 447.311 -0.216 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnn(C[C@H](O)CO)c3)CC2)cc1 1465792326 YOBXGEKDELPQFY-IBGZPJMESA-N 430.509 -0.876 50 10 IBGE O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)CCN1 748277322 SDAYRWXMQZCEQC-QGZVFWFLSA-N 444.469 -0.428 50 10 IBGE C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C[C@@H](C)O1 768684720 BQNZVXXRGIMUGA-BETUJISGSA-N 428.511 -0.097 50 10 IBGE CN(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704776 RUHDCAKYJWVMJE-UHFFFAOYSA-N 426.474 -0.048 50 10 IBGE Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1C 1306200806 TZEHGVWFQGGGNY-UHFFFAOYSA-N 434.474 -0.211 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1nnc2c1CCCC2 1587969147 WICJSRRQUSHGML-UHFFFAOYSA-N 425.493 -0.238 50 10 IBGE O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)[C@@H]1CCN1C1CCOCC1 1638870953 MWXAKDYKOGOBOO-AWEZNQCLSA-N 432.449 -0.356 50 10 IBGE COCCOCC(=O)NC1CCC(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)CC1 1303881787 OUKUFWIDBNCIDL-HTWSVDAQSA-N 440.541 -0.275 50 10 IBGE CO[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCOC1 1306201145 ZXPJVRXMRLHLRO-HOCLYGCPSA-N 427.479 -0.480 50 10 IBGE CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@]3(C)C[C@@H]3Br)CC2)CC1 1313064717 VKQSESSGBZIRPY-DZGCQCFKSA-N 438.392 -0.021 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nccnc3C)CC2)cc1 1629792792 GDYPKQROGSQZAU-UHFFFAOYSA-N 432.506 -0.139 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 1641521678 RBXNODQVPXVPIU-ZBFHGGJFSA-N 441.506 -0.055 50 10 IBGE COCCOc1ccc(C=C(C#N)C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 2325118030 HHUXEHWPJBDAHM-DLBZAZTESA-N 438.458 -0.310 50 10 IBGE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 757726613 ZAXOIIBIPBVLPG-CYBMUJFWSA-N 427.845 -0.274 50 10 IBGE COc1cccc(/C(C)=C/C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729718 ZLHUCZCWNNQLIQ-XYOKQWHBSA-N 426.433 -0.307 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n(C)c1=O 765733013 ZOUTYDRGOWYWGC-JQWIXIFHSA-N 432.387 -0.337 50 10 IBGE CN(C)N(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 792847979 BWLZXRIIVUNIPS-KDOFPFPSSA-N 434.518 -0.046 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCSS(C)(=O)=O)cc2)CC1 1175500609 ATFKPRJBPUSRRB-UHFFFAOYSA-N 449.576 -0.038 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn(C(F)(F)CO)nn3)CC2)cc1 1566279598 WRJQLPOCRJYDGW-UHFFFAOYSA-N 437.451 -0.293 50 10 IBGE O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)[C@@H]1Cc2ccccc2O1 748341515 LOVWPMOYCKNHSF-AWEZNQCLSA-N 432.462 -0.041 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3[C@@H]4CCCO[C@H]43)CC2)cc1 780646324 KLOCFIOSTUNFMT-QXAKKESOSA-N 436.534 -0.126 50 10 IBGE CO[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCOC1 1252899656 HIALZUZDTQJRKD-GOEBONIOSA-N 442.542 -0.305 50 10 IBGE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1 1644571840 AEVLMBFCBZNFQP-BPLDGKMQSA-N 425.463 -0.144 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2scnc2Br)n(C)c1=O 758359646 DLXYHEORFINZGJ-UHFFFAOYSA-N 442.255 -0.886 50 10 IBGE C[C@H](NC(=S)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 1144119406 FBRITBVSRWLXIK-CMPLNLGQSA-N 425.536 -0.019 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2cccnn2)c1 1596609133 NULPFSZFQTXUBM-UHFFFAOYSA-N 434.478 -0.362 50 10 IBGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 1687210529 FTWLMKPDMSMYDB-LBPRGKRZSA-N 429.499 -0.326 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1cc(I)ccc1-n1cnnn1 744640804 DHUIHIJVWRDRNN-NSHDSACASA-N 444.189 -0.557 50 10 IBGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 744641011 HGKVFOLXRZIGRL-MRXNPFEDSA-N 427.479 -0.341 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2cccc(B(O)O)c2)C1 2282101052 BTANPJBGIZSTFZ-QGZVFWFLSA-N 434.279 -0.318 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282371420 JGJKBFXJFJBZBM-WPRPVWTQSA-N 440.736 -0.101 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1296988613 WEYWKEVIXUAZGN-RRFJBIMHSA-N 429.543 -0.916 50 10 IBGE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cc1 1443493834 MYVIVEYGHKSBQE-UHFFFAOYSA-N 431.323 -0.589 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1635878355 ZYSHKKLKGQARHU-OAACRXHESA-N 430.383 -0.258 50 10 IBGE CS(=O)(=O)SCCC(=O)NCCCC[C@H](C(=O)O)N(CC(=O)O)CC(=O)O 22059040 NTAUBEPBIXSUDE-SNVBAGLBSA-N 428.485 -0.720 50 10 IBGE in-vitro CSCCNC(=S)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 770247211 MBYORTORAKJSOJ-RWMBFGLXSA-N 436.625 -0.046 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCN2CCCC2=O)cc1 804030558 VTMKSAULOOJINN-UHFFFAOYSA-N 425.511 -0.042 50 10 IBGE O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 814294191 NSCLAVLVGGSEEY-MRXNPFEDSA-N 427.513 -0.222 50 10 IBGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1350383521 QYVQAXZCWFQWOG-NSHDSACASA-N 439.226 -0.011 50 10 IBGE CO[C@]1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCS(=O)(=O)C1 1355622328 WGOIYRCOYWYJDL-QGZVFWFLSA-N 445.519 -0.564 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1655780502 CYQVPJWDUMWUEQ-OLZOCXBDSA-N 432.543 -0.102 50 10 IBGE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1685247450 UGEJNOMDYZMYMJ-TZMCWYRMSA-N 426.499 -0.547 50 10 IBGE O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(B(O)O)cc1 1540328957 RSWKTSFYRORTMJ-UHFFFAOYSA-N 431.279 -0.384 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1652257978 IRNHDFIKORPLIB-GFCCVEGCSA-N 425.467 -0.359 50 10 IBGE O=C(O)CN(CCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1)Cc1ccccc1 2284399072 GBUJWZPWAUPBEK-UHFFFAOYSA-N 432.716 -0.054 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)n(C)c1=O 765729559 DBANICRFRBDAAL-UHFFFAOYSA-N 434.796 -0.723 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NNC(=O)[C@@H]2CCCCO2)C1 1556782803 SVAIRNCWBGHKFF-FHSNZYRGSA-N 431.511 -0.015 50 10 IBGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc1S(=O)(=O)N1CCCCC1 745978547 MCZBGLQXODGIPS-HNNXBMFYSA-N 447.535 -0.105 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(B(O)O)ccc2F)C1 1177462639 UVXGGKFNKKUKAH-CYBMUJFWSA-N 444.290 -0.341 50 10 IBGE COCCOCC(=O)NNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1470924104 WEZTVTFKDHBJDB-UHFFFAOYSA-N 428.511 -0.743 50 10 IBGE CON(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1565158444 SJIPPJSHWWPPJV-GFCCVEGCSA-N 429.503 -0.948 50 10 IBGE Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cnc21 1644572315 QTKZCYIKFUXFIY-HRDYMLBCSA-N 425.243 -0.393 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)CI 2209518072 BZUBOTAZCMVZBI-HRDYMLBCSA-N 436.268 -0.361 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1cc(B(O)O)cs1)OCc1ccccc1 2267608453 WJJSLMJINRHYHE-CABCVRRESA-N 440.308 -0.210 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1OC 1643364446 MWECTMLTTDNCEL-XJKSGUPXSA-N 427.479 -0.647 50 10 IBGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B(O)O 2247782724 XJOKAHNDICYROJ-UHFFFAOYSA-N 441.294 -0.419 50 10 IBGE COc1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ncn1 1137298762 AXNZRPSYBUCYDD-UHFFFAOYSA-N 448.505 -0.439 50 10 IBGE COCCCn1nc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1=O 1466474920 CEAJQYHPIXUGCK-UHFFFAOYSA-N 437.316 -0.280 50 10 IBGE CC(C)(C)OC(=O)N1CC(OCCNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2362284777 JMWBMQBATPRHAA-UHFFFAOYSA-N 440.736 -0.005 50 10 IBGE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NNC(=O)[C@H]2COCCO2)cc1 1148561796 UYVFWVWXSPIUSN-HYVNUMGLSA-N 441.506 -0.503 50 10 IBGE COc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn1 1651320096 NTIFWAZMZXTGMQ-JQWIXIFHSA-N 427.508 -0.557 50 10 IBGE Cc1nc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(B(O)O)n1C 2282857443 IBZOXQKGTWYCNV-QLFBSQMISA-N 434.283 -0.904 50 10 IBGE Cc1ncsc1C(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729541234 GVTRGUOQGMUQNF-UHFFFAOYSA-N 425.492 -0.107 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CS(=O)(=O)NC(C)(C)C)CC2)cc1 766648008 HXLZEFGUBCMXPS-UHFFFAOYSA-N 439.582 -0.022 50 10 IBGE CN1C(=O)CO[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)[C@H]1c1cccnc1 1525087387 OYFQWDUIPZIXGZ-SJORKVTESA-N 432.458 -0.155 50 10 IBGE C[C@H](O)CN(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1625937392 FVQKQSYZDOUJHB-SMDDNHRTSA-N 441.959 -0.235 50 10 IBGE Cc1nc(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(B(O)O)n1C 2359273572 IBZOXQKGTWYCNV-SOUVJXGZSA-N 434.283 -0.904 50 10 IBGE Cn1cc(N2C[C@@H](C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)CC2=O)cn1 1147903084 RGVUZSNMFXEXHH-AWEZNQCLSA-N 448.505 -0.063 50 10 IBGE O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)[C@H]1CCN1C1CCOCC1 1456041414 ZEGYRCIIFIVPPF-QGZVFWFLSA-N 425.507 -0.604 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2CCCCS2(=O)=O)cc1 1648386322 GZNLGEYGBVEZAM-UHFFFAOYSA-N 432.524 -0.811 50 10 IBGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1 1130910026 RLQAYYNEZOURGW-UHFFFAOYSA-N 428.421 -0.045 50 10 IBGE O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1136718584 XRPWZFBBJGLPEJ-KRWDZBQOSA-N 444.467 -0.301 50 10 IBGE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1539497345 LVCUSYSQSDSRNV-UHFFFAOYSA-N 425.247 -0.353 50 10 IBGE CCN1CCN(CC(=O)NNc2nc(N(CC)CC)nc(N(CC)CC)n2)C(=O)C1=O 1626526715 NDTFNNGMDCQKLX-UHFFFAOYSA-N 435.533 -0.302 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3(C#N)CCOCC3)nc2)CC1 1684718076 DSTRSFXGNJOFDI-UHFFFAOYSA-N 437.526 -0.036 50 10 IBGE O=C1CN(CC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CCN1 1136034333 VPJFNVUZSJCARY-UHFFFAOYSA-N 434.460 -0.419 50 10 IBGE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCCSS(C)(=O)=O 1471452171 YYIYVFZHYCSZQV-UHFFFAOYSA-N 429.563 -0.073 50 10 IBGE C[C@H](C[S@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O)NC(=O)OC(C)(C)C 2282743515 PYYDICCGNOXSKO-BGGANLFTSA-N 441.362 -0.336 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)N1 1294603216 PBMGGCFWYWYSDQ-HNNXBMFYSA-N 429.930 -0.703 50 10 IBGE COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 1473859344 HVJJEPOAYOLQIC-GFCCVEGCSA-N 433.870 -0.618 50 10 IBGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)N(C)C 33732326 OWTNFWXDYZIBMF-XETPBLJFSA-N 428.445 -0.310 50 10 IBGE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1645053325 COEYZRSGSGFJGD-GUYCJALGSA-N 440.522 -0.640 50 10 IBGE COc1cc(I)ccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1648534756 RXWIJXYNEBPQLJ-ZETCQYMHSA-N 441.247 -0.002 50 10 IBGE Cn1nc(B(O)O)c(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)n1 2255558773 PVQDKMVTWKWPRH-UHFFFAOYSA-N 435.293 -0.304 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B(O)O)C[C@H](C)N1C(=O)OCc1ccccc1 2282417834 FEUISTNRLUWRFA-KBPBESRZSA-N 436.299 -0.480 50 10 IBGE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)C1=O 816882558 HZUGKGNGBLCXQY-JEOXALJRSA-N 429.412 -0.406 50 10 IBGE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C1=O 1156183965 JOBFWMAHXNRCLF-JKSUJKDBSA-N 438.525 -0.033 50 10 IBGE COCCOCC(=O)NNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1170320342 KDQTZTJGVVNVTH-AWEZNQCLSA-N 426.495 -0.050 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cnsc1B(O)O 1900466735 KGTAVVOYAVUWQJ-UHFFFAOYSA-N 444.319 -0.029 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ncc(Br)cc1B(O)O 2231671831 GIUQFOXRXLUYCR-WOPDTQHZSA-N 432.080 -0.723 50 10 IBGE Cc1c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)nnn1-c1cnn(C)c1 1446964609 VEAWYKDIXXBCQW-UHFFFAOYSA-N 432.304 -0.251 50 10 IBGE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1463540760 OCAYWSHCAFOTDP-CYBMUJFWSA-N 431.540 -0.153 50 10 IBGE CN(C)[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1cncn1C 1622153704 PTSMYARSIHEQJX-IBGZPJMESA-N 427.509 -0.372 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)sn1 2243378599 WGNPJHWHVDKOTR-UHFFFAOYSA-N 444.319 -0.029 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1 256072865 XSLGFIQRVCXUEU-ISFNTPFOSA-N 440.990 -0.595 50 10 IBGE COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Br 784000084 USAWKYRZOAKQKS-UHFFFAOYSA-N 441.238 -0.056 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)ccc1=O 1157845559 XYYZFQMXGQSFLK-UHFFFAOYSA-N 434.474 -0.395 50 10 IBGE Cn1cc(/C=C\C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)n(C)c1=O 744621503 ZLVYKFLJJFALIL-FPLPWBNLSA-N 449.489 -0.739 50 10 IBGE Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 1559837314 UZPYWJWTLRSGKN-UHFFFAOYSA-N 431.540 -0.654 50 10 IBGE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)CS(C)(=O)=O 1642619530 MACUPSSOPAYSCI-QMMMGPOBSA-N 431.414 -0.436 50 10 IBGE Cn1nnc(Br)c1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Br 2121369217 RKOXRWUTEQJKJV-WHFBIAKZSA-N 438.123 -0.584 50 10 IBGE CN(CCN1CCCS1(=O)=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 793217336 MFAFTVTXXFJQPX-UHFFFAOYSA-N 427.483 -0.379 50 10 IBGE Cn1cc([C@@H]2[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 794888373 GBTCCAYEJKHENG-OSAQELSMSA-N 425.511 -0.310 50 10 IBGE O=C1CN(S(=O)(=O)c2ccc(C(=O)NN=c3cc[nH]c4cccnc34)cc2)CCN1 1303434008 GYMDJBBVNDXTMO-UHFFFAOYSA-N 426.458 -0.071 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 1641668062 ZIGRVLBVAPJPDD-JZSSXWJLSA-N 425.385 -0.836 50 10 IBGE CCON(C)C(=O)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1686960516 UTSLTBWLLZMEMA-UHFFFAOYSA-N 429.503 -0.946 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267624797 FDTQWZLTCXNWGD-UHFFFAOYSA-N 426.709 -0.659 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)c3cccn3C)cc2)CC1 763993725 QZBSJDLZAAKREU-UHFFFAOYSA-N 448.505 -0.639 50 10 IBGE O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@@H]1CCC(=O)N1 1168008917 HZLODCROGDELMK-JTQLQIEISA-N 430.202 -0.553 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc1OC 1560007397 CNQCHFBKHOOLIK-MAZHCROVSA-N 427.479 -0.791 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267627197 UWBKJOKUVGKOGR-DTWKUNHWSA-N 426.709 -0.348 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 755456469 WQGWJHOBGYTAKF-SFHVURJKSA-N 435.481 -0.072 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccnc3ccccc23)n(C)c1=O 765725026 OQJBAKHIUYUFQA-BQYQJAHWSA-N 433.428 -0.157 50 10 IBGE COc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765730862 PCIQNZACQBRRQJ-UONOGXRCSA-N 426.433 -0.607 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2)cn1C 1355819743 XMKAVCXGPOKFLI-HNNXBMFYSA-N 447.583 -0.378 50 10 IBGE C[C@]1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C[C@@H]1Br 1441798279 MYCJTFHYBMCFTM-GVXVVHGQSA-N 429.358 -0.179 50 10 IBGE CCC[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)S(N)(=O)=O 1630996666 PMKSKQKKNHBHJM-QGZVFWFLSA-N 425.555 -0.283 50 10 IBGE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1 1644571841 AEVLMBFCBZNFQP-VHDGCEQUSA-N 425.463 -0.144 50 10 IBGE COc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1B(O)O 2289560443 DCHNCVGZWYBDPG-UHFFFAOYSA-N 432.263 -0.519 50 10 IBGE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(B(O)O)cc3)CC2)cc1 1452977378 UOEXFBBRSKVTAX-UHFFFAOYSA-N 447.322 -0.743 50 10 IBGE CO[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1622153649 NOBYIMMZUROEHF-KRWDZBQOSA-N 434.493 -0.052 50 10 IBGE CC[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1684231589 GICWRKGDSZWVQL-HNNXBMFYSA-N 427.527 -0.008 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 744645476 UAFBMORUKSIRFU-OCCSQVGLSA-N 447.897 -0.026 50 10 IBGE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)[C@@H]1COCCO1 771027191 HFPOGICJTVBLDA-SKDRFNHKSA-N 425.385 -0.065 50 10 IBGE CS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)co1 1294588055 YCXJJODNGFKICB-UHFFFAOYSA-N 434.474 -0.098 50 10 IBGE CC[C@@H](O)[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1545424259 SWNWFUKCCZDDFA-DOTOQJQBSA-N 426.539 -0.144 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1557734038 GDGIDUBFYAVUAN-UHFFFAOYSA-N 445.295 -0.288 50 10 IBGE CC(C)(C)OC(=O)N1CCOC[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282729739 RDFHBFINFICICI-SECBINFHSA-N 440.736 -0.005 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(OC)c1 729969332 PHJFKYGWDRIESZ-NEPJUHHUSA-N 425.463 -0.500 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C1=NN2CCCN=C2N1 1137304296 OORQXWXMLCTYTA-UHFFFAOYSA-N 432.916 -0.417 50 10 IBGE CO[C@@H]1COCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1470249263 HPXIMYAPIGPBMM-GOEBONIOSA-N 442.542 -0.305 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)[C@H]2COCCO2)cc1 744642711 MJEIXIYHGPEACY-DLBZAZTESA-N 439.490 -0.005 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1C 763815597 ZGYVZLOTWZINMU-UHFFFAOYSA-N 433.490 -0.104 50 10 IBGE CN1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920812389 ZAUQDSWLEUROBZ-OAHLLOKOSA-N 425.511 -0.254 50 10 IBGE Cc1ccnn1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1264194428 XTDDVKPQNWFUJG-UHFFFAOYSA-N 435.506 -0.007 50 10 IBGE COC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)O1 1472471027 WNDFEBUMWYVPLP-CABCVRRESA-N 425.463 -0.047 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1596692013 CXMCSBRCGGMKAT-UHFFFAOYSA-N 433.556 -0.653 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)C1 2168109830 VZYBVWPTJRLZRW-VOAKCMCISA-N 425.935 -0.533 50 10 IBGE Cc1nc(S(=O)(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)c(B(O)O)n1C 2282335524 QPMYOBZUMJKMDI-UHFFFAOYSA-N 436.299 -0.512 50 10 IBGE CSCC[C@@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)C(=O)O 2318467141 BXOZBOOFKJEUMX-HUUCEWRRSA-N 432.568 -0.233 50 10 IBGE CC1=C(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)S(=O)(=O)CCO1 1586842518 BNZYXJMFKMKTLP-UHFFFAOYSA-N 431.492 -0.173 50 10 IBGE O=C(NNC(=O)[C@H]1CCN1C1CCOCC1)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 1645053946 MNMRNUVDAHNMEC-HZPDHXFCSA-N 432.481 -0.422 50 10 IBGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 1872962849 XMDMIQKRPCVAEI-BZUAXINKSA-N 449.533 -0.201 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2187580262 OSFJXXBXLHQYQB-RVMXOQNASA-N 425.935 -0.533 50 10 IBGE COCCN1C(=O)/C(=C/NNC(=O)CNC(=O)OCc2ccccc2)C(=O)NC1=S 794845942 XJJPASVKTURTJK-UKTHLTGXSA-N 435.462 -0.693 50 10 IBGE COc1ccc(NC(=O)c2cc(B(O)O)ccc2F)cc1S(=O)(=O)N1CCOCC1 1540466534 PGVKTBPHGNETDE-UHFFFAOYSA-N 438.242 -0.213 50 10 IBGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 1627089081 VZUQPGZAJCRRKB-CYBMUJFWSA-N 437.277 -0.001 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866367713 IOYPWXWQBPDJIE-HUPGFNSNSA-N 429.267 -0.750 50 10 IBGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCC(N)=O 263631025 WCFIGVNGMPPERD-UHFFFAOYSA-N 429.397 -0.432 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2CN(CC(F)(F)F)C2)CC1 806871811 AXBDFCFUXOYTEX-UHFFFAOYSA-N 436.460 -0.045 50 10 IBGE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814304830 SIYRHYGBIQDLKB-HOTGVXAUSA-N 427.513 -0.223 50 10 IBGE CN1C(=O)[C@H](O)[C@H](C(=O)NNc2ccccc2S(=O)(=O)N(C)C)[C@H]1c1cnn(C)c1 1298837929 PZNHMRVMFZVLKQ-BZUAXINKSA-N 436.494 -0.696 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)nc2)CC1 1683987625 ZBNIYXWRCIAUNF-FMKPAKJESA-N 440.526 -0.552 50 10 IBGE C[C@H](C(=O)NNC(=O)[C@@H]1COCCO1)N1C(=O)c2ccc(Br)cc2C1=O 744643801 JEBDPLDIDSBTDJ-PELKAZGASA-N 426.223 -0.004 50 10 IBGE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 756358552 JQXVVLPSQDYFIW-KRWDZBQOSA-N 434.497 -0.535 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(F)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 1464999030 YBJNXCDLIPQPJE-UHFFFAOYSA-N 436.469 -0.042 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 1641668043 YIIMCLAFSHQTHL-UHFFFAOYSA-N 432.307 -0.146 50 10 IBGE COCCOCC(=O)NNC(=O)c1cc(I)ccc1-n1cnnn1 1642240589 XYZNGAWPOHERNP-UHFFFAOYSA-N 446.205 -0.309 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1cnc(B(O)O)s1 2089786247 IDETZXDHTWGWOE-UHFFFAOYSA-N 437.308 -0.291 50 10 IBGE O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)NNC(=O)[C@@H]2COCCO2)c1 745674812 QYRIEVMVNACQSF-KRWDZBQOSA-N 435.481 -0.407 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1S(=O)(=O)N1CCOCC1 1461151495 UHUOUYJVSGOSIE-JSGCOSHPSA-N 427.479 -0.098 50 10 IBGE O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)[C@H]1C(=O)Nc2ccccc2C1=O 1556766902 XROZJDAZBMPGSM-FXPVBKGRSA-N 433.364 -0.192 50 10 IBGE CSC[C@H](C(=O)NNC(=O)[C@@H]1CCc2nncn2C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 816884765 IKQNYFUKRFFUIU-ZOBORPQBSA-N 434.522 -0.105 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCO[C@H]3CCOC3)nc2)CC1 1251221172 NWXLGNFPAWVJGN-AWEZNQCLSA-N 428.515 -0.551 50 10 IBGE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)CC2=O)C1 1251436491 FZVNUOMDIFYAMF-XIKOKIGWSA-N 445.542 -0.412 50 10 IBGE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1456039122 SPJLZRDODGZTPT-DOMZBBRYSA-N 442.542 -0.896 50 10 IBGE CC(C)(C)C(=O)NNC(=O)CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1643958460 ROYBDLAUBTVUDR-UHFFFAOYSA-N 425.555 -0.224 50 10 IBGE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446928426 LJKVLOXOBFHPIW-AAEUAGOBSA-N 440.360 -0.131 50 10 IBGE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)CN1CCCC1=O 1635877690 GZABPEOLXGTFBZ-UONOGXRCSA-N 425.530 -0.018 50 10 IBGE CN(CCN(C)S(=O)(=O)Cc1ncsc1B(O)O)C(=O)OCc1ccccc1 2255760691 UVNFOUNGIFBDFA-UHFFFAOYSA-N 427.313 -0.147 50 10 IBGE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 1478950874 MISDDLPZBAMIQI-NWDGAFQWSA-N 436.284 -0.030 50 10 IBGE O=C(NC[C@H](NS(=O)(=O)c1cncc(B(O)O)c1)C(F)(F)F)OCc1ccccc1 2282716628 WYKGBZVIWVHGHK-AWEZNQCLSA-N 447.200 -0.103 50 10 IBGE O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)c1csc(N2CCOCC2)n1 1440328142 ABNLLUINFHZYFF-BDAKNGLRSA-N 442.441 -0.036 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cc1 1608453461 PLZVHUVUPMGWRA-JNNRSPCRSA-N 437.474 -0.516 50 10 IBGE CCN1C[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1=O 1636712822 MJGXYPCUEVUSOB-CQSZACIVSA-N 425.511 -0.186 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3ccc(S(N)(=O)=O)cn3)CC2)cc1 769748238 DPKHDCLPVRCABQ-UHFFFAOYSA-N 446.533 -0.384 50 10 IBGE CS(=O)(=O)SCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1558071537 KBRSCSOTCVRROW-YNEHKIRRSA-N 426.582 -0.095 50 10 IBGE O=C(c1ccc(B(O)O)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1628307219 COUUEKYXXHHFSB-UHFFFAOYSA-N 432.292 -0.482 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](O)c3ccccn3)CC2)cc1 1630996337 CIHIEQRKEQWZMB-LJQANCHMSA-N 447.517 -0.423 50 10 IBGE CN(C)S(=O)(=O)CCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1631013909 ASBFOXVIERPORY-UHFFFAOYSA-N 445.973 -0.114 50 10 IBGE Cc1csc(CC(=O)NNC(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)n1 1659796639 HYUBAQBMNZXWAZ-CQSZACIVSA-N 429.568 -0.664 50 10 IBGE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816882799 MOYCDSBBKVEFHG-QLJPJBMISA-N 428.371 -0.380 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 1540253505 XGPLHWYPTLRLGA-LBPRGKRZSA-N 431.540 -0.279 50 10 IBGE COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)O1 1632134069 LLMLHCFKOPOSIC-CVEARBPZSA-N 426.495 -0.214 50 10 IBGE Cn1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)nc1B(O)O 2255483815 JNNKTBVWZIOURX-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1cc(B(O)O)cs1)OCc1ccccc1 2267608454 WJJSLMJINRHYHE-GJZGRUSLSA-N 440.308 -0.210 50 10 IBGE CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)N(C)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 31460101 RONDBEFCNSGQHT-KJWHEZOQSA-N 433.370 -0.608 50 10 IBGE Cc1nc(S(=O)(=O)NCCCCCNC(=O)OCc2ccccc2)c(B(O)O)n1C 2282333775 SNZGPLCYMATOAD-UHFFFAOYSA-N 438.315 -0.217 50 10 IBGE C[C@@H]1CCCN1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 769863818 YEYQETAZIBLBAK-CYBMUJFWSA-N 432.524 -0.329 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1557735593 ZUPDJYSDUUBRMC-UHFFFAOYSA-N 439.462 -0.443 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cccc(B(O)O)c2)C1 1558284268 ZEOIFLAXYSXQLY-OAHLLOKOSA-N 426.300 -0.480 50 10 IBGE Cc1cc(S(=O)(=O)NCCNC(=O)NNC(=O)c2ccc(=O)n(C)c2)c(C)s1 1685780478 GYOWOGHSSYMNGB-UHFFFAOYSA-N 427.508 -0.014 50 10 IBGE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nscc1B(O)O 2130087953 MFFYXHVSNDXBCA-LLVKDONJSA-N 437.308 -0.120 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 758031218 VQZCLYKQOFCKAQ-GXTWGEPZSA-N 428.486 -0.308 50 10 IBGE CN(C)Cc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765312247 BAURZSYMEWNLJB-UHFFFAOYSA-N 428.453 -0.652 50 10 IBGE C[C@@H](Cn1ncc2ccccc21)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802763100 QPJRFQQZJNVQLT-LBPRGKRZSA-N 438.448 -0.733 50 10 IBGE CN(C)N(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCS(=O)(=O)C1 1124468715 QDYNVDFAHOBTAB-OAHLLOKOSA-N 430.552 -0.025 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H](O)c1ccccn1 1587280595 UTZAGYUYUILVFS-LJQANCHMSA-N 448.501 -0.084 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)cc1 1624982694 IPPQORMJMVALHA-UHFFFAOYSA-N 434.254 -0.145 50 10 IBGE O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(B(O)O)ccc1F 1628357753 CZXZABHGPKIJAI-UHFFFAOYSA-N 426.206 -0.082 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CSC(=O)N3)CC2)cc1 766636108 JORPRSFYJZPTLV-AWEZNQCLSA-N 441.535 -0.726 50 10 IBGE CN(C)C(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1C 794598184 BPHGVBOAOVFZOU-UHFFFAOYSA-N 437.478 -0.037 50 10 IBGE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816882797 MOYCDSBBKVEFHG-MGPLVRAMSA-N 428.371 -0.380 50 10 IBGE Cn1nc(I)cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1136390163 VLDJBRKVXWQGMQ-LURJTMIESA-N 427.224 -0.844 50 10 IBGE CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1C[C@@H]1F)c(=O)n2Cc1ccccc1 1463947079 AFHNLIQKZDJRFZ-KBPBESRZSA-N 428.424 -0.067 50 10 IBGE COC(=O)c1ncoc1COCC(=O)N1CCN(S(=O)(=O)CBr)CC1 1597884874 AJCOTFWKQGXQBQ-UHFFFAOYSA-N 440.272 -0.196 50 10 IBGE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282378465 GSUPGXKJEKKJAC-UHFFFAOYSA-N 442.752 -0.021 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2cscc2B(O)O)C1 2267417507 XPKQTVPLDXXJCR-CQSZACIVSA-N 440.308 -0.256 50 10 IBGE CN(C)N(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[C@H]1CCS(=O)(=O)C1 1124468714 QDYNVDFAHOBTAB-HNNXBMFYSA-N 430.552 -0.025 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1182609551 SPBVPILWCFTROX-CBAPKCEASA-N 433.284 -0.040 50 10 IBGE CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 1470661410 OXYRSGVIQWYHQY-UHFFFAOYSA-N 428.286 -0.837 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3[C@@H]4CCC(=O)[C@H]43)CC2)cc1 1465790767 UCOBAMMDILKVDX-AYOQOUSVSA-N 434.518 -0.326 50 10 IBGE CO[C@@]1(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CCS(=O)(=O)C1 1556101905 IZBGNEQVFOEGMA-KRWDZBQOSA-N 434.515 -0.174 50 10 IBGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(Br)c1 1558927605 CXXPDIYSVBCJCM-PRHODGIISA-N 435.300 -0.289 50 10 IBGE CN1CCN(C(=O)NNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1639494412 JIRHRRQTEOFAAR-ZDUSSCGKSA-N 433.531 -0.601 50 10 IBGE O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@H]1CCN(C2CCOCC2)C1=O 1687213890 HXBLCFXRUGUQBH-INIZCTEOSA-N 431.497 -0.197 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742501575 WADYKTJXCKSSOJ-FPQZTECRSA-N 425.239 -0.289 50 10 IBGE NS(=O)(=O)CCOCCNC(=O)NNC(=O)c1cc(F)ccc1Br 1681829183 RDMJAKVVNKOTIA-UHFFFAOYSA-N 427.252 -0.163 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)c2)CC1 1461152194 XLDKGYKKISKEOL-CXAGYDPISA-N 438.506 -0.275 50 10 IBGE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(F)cc2)c1 1472476281 UOJPTLJEGQQORE-UHFFFAOYSA-N 443.478 -0.102 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCCNC1=O 1618795652 NZPGETIOWKRVRM-MRXNPFEDSA-N 438.506 -0.686 50 10 IBGE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 814304831 SIYRHYGBIQDLKB-HZPDHXFCSA-N 427.513 -0.223 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H](O)c1ccccn1 1587280594 UTZAGYUYUILVFS-IBGZPJMESA-N 448.501 -0.084 50 10 IBGE COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)c1 1646038587 FQKXLFVTWGNQLJ-KRWDZBQOSA-N 440.522 -0.374 50 10 IBGE CCN1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 802532595 QSULXKRMAIRKII-OAHLLOKOSA-N 439.494 -0.728 50 10 IBGE O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)[C@@H]1CCN1C1CCOCC1 1156184705 YSLYAQJVAWPRJQ-KRWDZBQOSA-N 438.506 -0.604 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccnc(CO)c1 1540406890 WMVZVJASKMFCMV-UHFFFAOYSA-N 448.501 -0.011 50 10 IBGE C#CCN1CCC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1565345430 MUEKYPIFQICCQY-MRXNPFEDSA-N 435.554 -0.259 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CN(C)CCN(C)C2)c1 1628159964 VOZDCMDWHLMXAD-UHFFFAOYSA-N 425.555 -0.029 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn4c(n3)CCC4)CC2)cc1 1630996302 AVJJWYKUPJVQKU-UHFFFAOYSA-N 446.533 -0.095 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1294208998 PADZKPZUPRWSMU-CHWSQXEVSA-N 447.535 -0.150 50 10 IBGE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1CCN1C1CCOCC1 1558457453 NEDOVWWWHQPXRJ-HNNXBMFYSA-N 435.506 -0.484 50 10 IBGE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1630996755 SFPGEMYIHXINDI-QGZVFWFLSA-N 439.538 -0.834 50 10 IBGE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 778554311 NMJSGBRTAHHTBB-LSDHHAIUSA-N 427.479 -0.100 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2187580263 OSFJXXBXLHQYQB-WUHRBBMRSA-N 425.935 -0.533 50 10 IBGE CC(C)(C)OC(=O)NCCCN(CCO)CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2281100822 FXDRALSAMRAYEQ-QWHCGFSZSA-N 427.951 -0.284 50 10 IBGE COC(=O)c1ccnc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 1306648191 HEEHCUQFVCOXDZ-UHFFFAOYSA-N 434.478 -0.044 50 10 IBGE COC(=O)C1=CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1682726855 JJBPAGGAECMHCK-CQSZACIVSA-N 438.510 -0.094 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1303881514 MCJAFGMFDGKGLF-QGZVFWFLSA-N 438.506 -0.432 50 10 IBGE CC[C@H](NC(C)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1524057144 WBBVTAOLTLXDHJ-KRWDZBQOSA-N 440.522 -0.298 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2n(n1)CCC[C@H]2O 1622153409 FJVQPDREBLZSKM-GOSISDBHSA-N 426.477 -0.071 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3COCCO3)c2)C[C@@H](C)O1 744643743 RNAXLSKXFSGRBW-XJKCOSOUSA-N 427.479 -0.339 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)/C=C\c2ccc(F)cc2)n(C)c1=O 765123896 KDUIXZFTKZTAHF-FPLPWBNLSA-N 436.425 -0.806 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 814331039 WQXQAYACOVGKOP-CABCVRRESA-N 427.465 -0.149 50 10 IBGE O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1131722956 LOZTYHDZJHXWKN-GFCCVEGCSA-N 436.266 -0.054 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cn(C)nc3C)CC2)cc1 1587963501 BXGAGZOLTXPATM-UHFFFAOYSA-N 448.549 -0.267 50 10 IBGE O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1156184465 SYLOKWKEZJUIHO-GOSISDBHSA-N 444.536 -0.089 50 10 IBGE Cn1nnc(B(O)O)c1S(=O)(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 2247847459 XNDAZVNERGVIJM-UHFFFAOYSA-N 443.338 -0.134 50 10 IBGE O=S(=O)(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c(B(O)O)s1 2282376798 ISSDASFDUGMISO-MRXNPFEDSA-N 430.744 -0.003 50 10 IBGE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)[C@H]1COCCO1)n2C 744642605 KMICIWLVXNYBDF-OAHLLOKOSA-N 439.494 -0.681 50 10 IBGE CCN1CCN(c2ccc(CNC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cn2)CC1 814278725 RKYGLAYJBMYKJZ-MRXNPFEDSA-N 427.513 -0.092 50 10 IBGE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)[C@@H]1CCc2nncn2C1 816884301 WHJJOWDKQHQTGU-XIKOKIGWSA-N 437.460 -0.536 50 10 IBGE O=C(CN1CCCc2ccccc21)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914830644 MKZOKGCRXZNLMM-HOTGVXAUSA-N 434.518 -0.378 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(Cl)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 2265377066 KABKFXRENKRUOE-NWDGAFQWSA-N 429.948 -0.128 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N[C@]2(C)CCCN(C(=O)OCc3ccccc3)C2)n1 2282739664 NDVCRRQIKFAXBX-GOSISDBHSA-N 436.299 -0.431 50 10 IBGE O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1136389861 MJMRUSAHZQQWPB-MRVPVSSYSA-N 425.389 -0.508 50 10 IBGE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)cc1 1464911200 LKRHFXLPDLJQOO-UHFFFAOYSA-N 449.313 -0.450 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2sccc2B(O)O)C1 2267208909 ORXAYIVZNKJAQU-CQSZACIVSA-N 440.308 -0.256 50 10 IBGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)Cc1ncsc1B(O)O)C(F)(F)F 2282736940 XOHNHFZZLIYHIB-QMMMGPOBSA-N 433.239 -0.302 50 10 IBGE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(=O)n(C)c2)C1=O 1134416996 FKUMNQSLFOQGEZ-HXUWFJFHSA-N 427.417 -0.378 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 1306648174 GBIKVASHOYUICB-MRXNPFEDSA-N 431.540 -0.572 50 10 IBGE CN(OCC(F)(F)F)C(=O)CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1684017748 XNHAJSXUNTWFLO-UHFFFAOYSA-N 433.391 -0.024 50 10 IBGE CCc1c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cnc2c1c(=O)n(C)c(=O)n2C 753887482 KLARNVJEEDAULZ-OAHLLOKOSA-N 439.428 -0.204 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2SCCc3sccc32)n(C)c1=O 766641939 DGTRHVYWADGFMG-CYBMUJFWSA-N 434.503 -0.327 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CNC(=O)c3ncccc3O)CC2)cc1 1294587929 RZLSPUPFHCGHBJ-UHFFFAOYSA-N 440.504 -0.209 50 10 IBGE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC(=O)NNC(=O)c2cccc(C#N)c2)cn1 1460779508 HTQNZDZFTCMGOE-KRWDZBQOSA-N 430.490 -0.085 50 10 IBGE C#CCN1CCC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1565345429 MUEKYPIFQICCQY-INIZCTEOSA-N 435.554 -0.259 50 10 IBGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1872960861 GNQDIMJPIBLCMJ-MSOLQXFVSA-N 444.536 -0.056 50 10 IBGE CN(CC(=O)NNC(=O)[C@@H]1COCCO1)S(=O)(=O)c1ccc(Br)cc1 744652767 NCSOWPNNPJLWAR-LBPRGKRZSA-N 436.284 -0.368 50 10 IBGE COc1ccc(C(F)(F)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 756001960 CVLLCTIQMOFFGT-UHFFFAOYSA-N 436.375 -0.618 50 10 IBGE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)[C@H]1COCCO1 771027188 HFPOGICJTVBLDA-BXKDBHETSA-N 425.385 -0.065 50 10 IBGE CCN(CCO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1469434567 HRUWFKBPSNFHPL-UHFFFAOYSA-N 426.539 -0.046 50 10 IBGE CC(C)N1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1608469635 JQGRKMZCJSKXEF-INIZCTEOSA-N 438.506 -0.132 50 10 IBGE C[C@@]1(NNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCS(=O)(=O)C1 776054399 HGTXLCNWMQGIKO-ABSDTBQOSA-N 435.550 -0.034 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3[C@H]4C(=O)CC[C@H]43)CC2)cc1 1465790766 UCOBAMMDILKVDX-ATZDWAIDSA-N 434.518 -0.326 50 10 IBGE CN1CCC(CNC(=O)NNC(=O)CNC(=O)c2cccs2)(N2CCOCC2)CC1 1564921309 CETYDWNLPSETCT-UHFFFAOYSA-N 438.554 -0.395 50 10 IBGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1637744121 VCTSYVAILIREPS-XOBRGWDASA-N 436.465 -0.189 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCc2nnc(O)n2C1 1465791684 JWCBROLLQRBROI-HNNXBMFYSA-N 427.465 -0.849 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NNC(=O)N1CCOCC1 1544298163 XJMZXJFXVZKSNV-BFHYXJOUSA-N 446.526 -0.270 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ccc1=O 1636482957 TWYHGOVKFYGRPE-HNNXBMFYSA-N 434.474 -0.083 50 10 IBGE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NNC(=O)[C@@H]1C[C@H]3CC[C@H]1O3)CCS2(=O)=O 1685668865 GUEDAJRFBLUIAG-MIBSORRWSA-N 429.495 -0.217 50 10 IBGE C[C@H]1CCN(c2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccn2)C1 766645280 RYIWMEMMYCIZFT-LBPRGKRZSA-N 440.464 -0.864 50 10 IBGE Cn1c(O)ncc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=O 766659704 FSIRHCFMEJZYPK-UHFFFAOYSA-N 434.884 -0.282 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)C1 808278883 LLJIZPAHKXWZIM-CABCVRRESA-N 427.502 -0.230 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1nccn1S(=O)(=O)N(C)C 1324474086 PTUPMYVWDLDADD-UHFFFAOYSA-N 427.512 -0.097 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1633925614 NOWRWKZWNDKMBR-RYUDHWBXSA-N 432.499 -0.348 50 10 IBGE COC(=O)CCS(=O)(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 811689374 BWVPBLNPKIDPGA-UHFFFAOYSA-N 432.930 -0.029 50 10 IBGE CC(C)N1CC[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H](c2cnn(C)c2)C1 1631030350 VDWXUBFMKKOYMI-HRCADAONSA-N 426.543 -0.249 50 10 IBGE CCn1nc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)c1C 27528015 XDEPQQPFXNEMKT-AWQFTUOYSA-N 443.472 -0.338 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756031899 LYCYURRGRHWERK-CYBMUJFWSA-N 432.430 -0.585 50 10 IBGE CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 792951629 CXIVMEKPBGLBFH-UHFFFAOYSA-N 434.497 -0.204 50 10 IBGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)nn2)cc1Br 1279010823 HFOZSKYTBXEURP-UHFFFAOYSA-N 431.272 -0.097 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2COCCN2CC(F)(F)F)c1 1538535133 VYOBYHUAWCOUAB-CYBMUJFWSA-N 438.428 -0.039 50 10 IBGE Cn1cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)ccc1=O 1564648624 XJNDCRYXULGESC-UHFFFAOYSA-N 429.405 -0.414 50 10 IBGE CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CS(C)(=O)=O)(c2ccccc2)CC1 1641666573 FTJLTHRNQGVVJA-UHFFFAOYSA-N 431.536 -0.438 50 10 IBGE O=C(COc1ccc(Br)cc1)NNC(=O)NCc1nnc2n1CCNC2=O 1687451301 IIEDLOPJLBQNPO-UHFFFAOYSA-N 438.242 -0.307 50 10 IBGE O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)[C@H]1COCCO1 744647570 LWPLAHUQPYRCHE-MRXNPFEDSA-N 426.495 -0.019 50 10 IBGE O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1COCCO1 790395272 SQZCDBPDAHGKMH-MRXNPFEDSA-N 447.535 -0.024 50 10 IBGE O=C(CNC(=O)CNC(=O)NNC(=O)COc1ccccc1F)NCc1ccccc1 1479283813 PDGBWKDCCCNQKP-UHFFFAOYSA-N 431.424 -0.033 50 10 IBGE CCc1noc(COCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1635504619 BHOYCSBATQQDBM-UHFFFAOYSA-N 430.465 -0.246 50 10 IBGE CN(C)C(=O)CCN1CCC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1318431537 GWHLRMJPVYRWQQ-UHFFFAOYSA-N 446.556 -0.034 50 10 IBGE O=S1(=O)CCC(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 1325582426 JSWMKYKVRZNNMZ-UHFFFAOYSA-N 439.375 -0.807 50 10 IBGE CN1CCOC[C@@H]1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1254222993 PPGGNQBOBWFICW-HNNXBMFYSA-N 425.511 -0.254 50 10 IBGE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1456039129 SPJLZRDODGZTPT-WFASDCNBSA-N 442.542 -0.896 50 10 IBGE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 1137882575 XSTUCEFGRMFQQO-NSHDSACASA-N 440.316 -0.776 50 10 IBGE CN(CC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1 1178353673 IOAVHSGJAYUESF-CYBMUJFWSA-N 427.483 -0.141 50 10 IBGE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)CC2=O)C1 1251436489 FZVNUOMDIFYAMF-KZULUSFZSA-N 445.542 -0.412 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCCCS3(=O)=O)cc2)CC1 1295262043 YWVPUWPUKDKANI-UHFFFAOYSA-N 445.567 -0.509 50 10 IBGE CN(CCCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)C1=NS(=O)(=O)c2ccccc21 816871591 NPTSKQKWZKNVSR-CYBMUJFWSA-N 445.505 -0.151 50 10 IBGE O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1640905739 NMIZEGPMTPIDBL-LKAFINOVSA-N 427.454 -0.336 50 10 IBGE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282741455 NVWFEXAABIFAQZ-SNVBAGLBSA-N 437.374 -0.405 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)[C@@H]1COCCO1 744641076 ACTVHSGZHODKKU-LBPRGKRZSA-N 441.384 -0.184 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCOc2ccc(F)cc2)n(C)c1=O 765729626 DSTMNNQPUPSLRO-UHFFFAOYSA-N 432.412 -0.421 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3C(=O)NC(=O)C3(C)C)CC2)cc1 766640532 GUDAXLRWOIJTQO-UHFFFAOYSA-N 430.509 -0.410 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1135649922 YRXRBPFBKJGESS-RBSFLKMASA-N 448.611 -0.030 50 10 IBGE Cn1ncc2c(=O)n(CC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cnc21 11329821 VRUBFUXTJPUARX-UHFFFAOYSA-N 438.492 -0.510 50 10 IBGE N#CSc1ccc(N(C=C2C(=O)NC(=O)NC2=O)C=C2C(=O)NC(=O)NC2=O)cc1 101124482 PGHTXIMBEUNIIN-UHFFFAOYSA-N 426.370 -0.434 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 758031241 VQZCLYKQOFCKAQ-TZMCWYRMSA-N 428.486 -0.308 50 10 IBGE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)C1CCOCC1 1153078535 GXGWIZDIVOHPGN-HNNXBMFYSA-N 441.506 -0.198 50 10 IBGE Cc1nn(C)c(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1B(O)O 2282392589 YTWNFMZAWMLZJI-GFCCVEGCSA-N 428.176 -0.005 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@@H](O)C1 2282419096 MUQNPHLBYSMSCN-UWVGGRQHSA-N 440.736 -0.270 50 10 IBGE CNC(=O)C1=c2s/c(=C/C(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 199503460 OIETWOPVQBCWNK-NRUITVPNSA-N 426.454 -0.783 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 745816322 FQZJXFAOACWFDF-CABCVRRESA-N 435.485 -0.972 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12 800517753 RQCPHVBVHFSFKY-PMDFESDJSA-N 434.496 -0.081 50 10 IBGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)o1 1583542923 KTSXDYIMRPRAIU-BRWVUGGUSA-N 432.481 -0.194 50 10 IBGE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1645053323 COEYZRSGSGFJGD-CXAGYDPISA-N 440.522 -0.640 50 10 IBGE CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1470249265 HPXIMYAPIGPBMM-ZBFHGGJFSA-N 442.542 -0.305 50 10 IBGE Cc1[nH]nc(I)c1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1597426362 QKLQJRUZXZJCKI-LURJTMIESA-N 427.224 -0.546 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2c(B(O)O)cnn2C)C[C@@H](C)N1C(=O)OCc1ccccc1 2282706738 PTMRSWHABRUZIY-ZIAGYGMSSA-N 436.299 -0.480 50 10 IBGE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O)NC(=O)OC(C)(C)C 2282743518 PYYDICCGNOXSKO-ZJJDNZPOSA-N 441.362 -0.336 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 744641117 ADSPALFPWFTCDO-AWEZNQCLSA-N 433.433 -0.072 50 10 IBGE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NNC(=O)[C@H]2COCCO2)CC1 746001137 CHVDQOKIYDTVBK-OAHLLOKOSA-N 433.531 -0.731 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C3CC3)cnc2Cl)n(C)c1=O 793673243 FVKAWVWRWOMMBB-UHFFFAOYSA-N 431.840 -0.179 50 10 IBGE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=S)N[C@H](C)C2CC2)s1 1452630594 YITCVWAJBIRRSH-SECBINFHSA-N 433.581 -0.044 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCn1cnc2ccc(Br)cc2c1=O 1557734006 DYSWTMUMPFNPJP-UHFFFAOYSA-N 431.268 -0.259 50 10 IBGE CO[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 1654359857 SAKOLYRBPSIKOC-CQSZACIVSA-N 443.526 -0.183 50 10 IBGE Cn1nnc(Br)c1S(=O)(=O)N1CCN(CCBr)C(=O)C1 2171075502 DGZCWXBRVJOBPW-UHFFFAOYSA-N 431.110 -0.195 50 10 IBGE COc1cc(C(C)=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCC(N)=O 254397908 KEYHIBHYPKUAOX-UHFFFAOYSA-N 429.397 -0.432 50 10 IBGE CCCn1nc(C(=O)NNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 809749180 DDXJOBSFZNNVLX-KTKRTIGZSA-N 438.444 -0.322 50 10 IBGE O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cc(B(O)O)ccc1F 1136274738 JQKXHPZMIBUVIH-HNNXBMFYSA-N 436.270 -0.107 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cn[nH]c3)CC2)cc1 1566278585 JEIIRNOWJRSAQA-UHFFFAOYSA-N 434.522 -0.195 50 10 IBGE NS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccn1 1586861306 NJCUEPCSGNTOHV-UHFFFAOYSA-N 432.506 -0.298 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1COCCN1S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282368340 OTFORSHRXIFRMP-VIFPVBQESA-N 440.736 -0.005 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCN(C)[C@@H]3C)CC2)cc1 1294587285 BCTSKDUFJRNUCH-SJLPKXTDSA-N 437.566 -0.211 50 10 IBGE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446928435 LJKVLOXOBFHPIW-YPMHNXCESA-N 440.360 -0.131 50 10 IBGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1Br 1543093642 JBBBYIWYLVNJPI-JTQLQIEISA-N 433.284 -0.261 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]2(OC)CCS(=O)(=O)C2)c1 1623865001 OPGOFDIHTKIZNJ-KRWDZBQOSA-N 447.535 -0.318 50 10 IBGE NS(=O)(=O)c1ccc(SCC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1652303531 AQSFTDDLSFTDNL-HNNXBMFYSA-N 428.536 -0.173 50 10 IBGE Cc1c(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)nn(C)c1B(O)O 2282294752 CGKLLKFHSQFLDT-GFCCVEGCSA-N 428.176 -0.005 50 10 IBGE CS(C)(=O)=NS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 1473472399 PZQWCSZZPHFWNE-UHFFFAOYSA-N 435.503 -0.823 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc(N3CCOCC3)n2)cc1 1649391208 MMDPCDAHHRAKND-UHFFFAOYSA-N 448.505 -0.297 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cnc(B(O)O)s1 2108234134 MILANFGNEXWZKP-MRXNPFEDSA-N 441.271 -0.733 50 10 IBGE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)Cc2ccsc2B(O)O)C1 2282735479 BAUWOGKFLAMXFR-SANMLTNESA-N 438.358 -0.025 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)CC2)cc1 780646325 KLOCFIOSTUNFMT-UHOSZYNNSA-N 436.534 -0.126 50 10 IBGE O=C(N/N=C(\c1nc2ccccc2[nH]c1=O)[C@H](O)[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 15774936 OLQGMYJHLBYMKJ-MRYPYIETSA-N 427.373 -0.321 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCCO2)cc1 814342530 FSGGBXUYFYDRFQ-OAHLLOKOSA-N 426.495 -0.227 50 10 IBGE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1135469955 GMYIUSBCBQFMEM-GOSISDBHSA-N 425.555 -0.080 50 10 IBGE CN(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 752579009 QHNZLIFCYRIANC-UHFFFAOYSA-N 431.946 -0.504 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCc2nnnn2CC1 1137298752 AODBVKALBXTOBW-HNNXBMFYSA-N 426.481 -0.769 50 10 IBGE O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1645054837 ZIYAOMYLRCQCTA-GOSISDBHSA-N 441.488 -0.541 50 10 IBGE O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 33931228 PCZQUFSKMFOCQH-ZDEQEGDKSA-N 431.001 -0.067 50 10 IBGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1 744642971 MQWZVMRUMMQUES-INIZCTEOSA-N 445.494 -0.854 50 10 IBGE Cn1cc(C[C@H](O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 786687620 IJRCGXPVYRPONN-KRWDZBQOSA-N 435.506 -0.041 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 1623994731 XKUZEECPUPELQY-WBVHZDCISA-N 440.522 -0.422 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)N1 1635287633 QXXCQMQKCNAICS-SFHVURJKSA-N 444.536 -0.033 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NNC(=O)[C@H]3CCCO3)CS(=O)(=O)[C@@H]2C1 1159971576 GWNJDNMSKUOYKJ-AAVRWANBSA-N 431.511 -0.017 50 10 IBGE CS(=O)(=O)c1ccc(NC(=O)NNC(=O)NCCN2CCC3(C2)OCCO3)cc1 1685332232 SJGYTFXWCPFLHS-UHFFFAOYSA-N 427.483 -0.125 50 10 IBGE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)(C(=O)O)C1 2282372321 WVNVREMNJKVTOQ-UHFFFAOYSA-N 440.692 -0.566 50 10 IBGE C[C@@]1(NNC(=O)NCCNC(=O)c2ccc(Br)cn2)CCS(=O)(=O)C1 1230869601 WUVMUZGYVIFZAD-CQSZACIVSA-N 434.316 -0.045 50 10 IBGE O=C(NNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 1292039175 UWBRSEUDBRJNFU-ZFWWWQNUSA-N 426.470 -0.266 50 10 IBGE O=C(CCN1C(=O)CCNC1=S)NNc1ccccc1S(=O)(=O)N1CCOCC1 1618614537 CNMBHALQYXEXRQ-UHFFFAOYSA-N 441.535 -0.353 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267627196 UWBKJOKUVGKOGR-BDAKNGLRSA-N 426.709 -0.348 50 10 IBGE COc1ccc(C[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 759607088 GFPISRWWHZBMIB-LBPRGKRZSA-N 428.449 -0.532 50 10 IBGE Cn1cc([C@@H]2[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 794888371 GBTCCAYEJKHENG-NJZAAPMLSA-N 425.511 -0.310 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1472474843 BGHWHCRSZBGHMU-AWEZNQCLSA-N 448.505 -0.287 50 10 IBGE COCCOc1ccc(C=C(C#N)C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2325118032 HHUXEHWPJBDAHM-IRXDYDNUSA-N 438.458 -0.310 50 10 IBGE CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1233944590 MELAFRDHZXMYIB-GFCCVEGCSA-N 427.483 -0.177 50 10 IBGE NC(=O)[C@@H]1CC[C@H](CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)O1 1630996927 ZYYVGXCIVFZURP-SJORKVTESA-N 431.493 -0.595 50 10 IBGE Cc1nc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(B(O)O)n1C 2282857442 IBZOXQKGTWYCNV-ILXRZTDVSA-N 434.283 -0.904 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)N1 1438034814 HLQFDAPULVLEBB-CYBMUJFWSA-N 430.433 -0.209 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccccc3)CCOCC2)n(C)c1=O 766641788 CCWQAHGEMJIQGD-UHFFFAOYSA-N 440.460 -0.671 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776055358 MIINVGZKRJNSSC-NJAFHUGGSA-N 433.509 -0.033 50 10 IBGE COc1ccc(CCN2C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)CC2=O)cc1OC 1149617796 TWZIPOOAKNGXDQ-CYBMUJFWSA-N 427.479 -0.713 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 744643480 PEHJXDHIVCCVRS-INIZCTEOSA-N 427.479 -0.147 50 10 IBGE C[C@@H](CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)C 1312711514 VQAZWNBHSKTNAV-HNNXBMFYSA-N 441.554 -0.079 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C)c(O)n3)CC2)cc1 1545424112 MLSWQPJPFZMPOU-UHFFFAOYSA-N 436.494 -0.798 50 10 IBGE CCCc1c(C(=O)NN=C2C(=O)N(CC(=O)O)c3ccccc32)nnn1-c1nonc1N 263626734 VYPOLSWWTTVNQS-UHFFFAOYSA-N 439.392 -0.250 50 10 IBGE COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2c(c1)C[C@@H](C)O2 755788487 HMKLDVHYTYYNSE-LLVKDONJSA-N 426.433 -0.084 50 10 IBGE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)C1=O 816882559 HZUGKGNGBLCXQY-NSPYISDASA-N 429.412 -0.406 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)[C@H]2CCCO2)c1 817214492 TUFGLLSMDHEJCM-MRXNPFEDSA-N 426.495 -0.287 50 10 IBGE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)Cc1cccnc1 1456160084 XZQSBNAHDCWFMJ-UHFFFAOYSA-N 425.488 -0.096 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1638870863 KGCMMZYDGXUGKQ-INIZCTEOSA-N 428.486 -0.105 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CCCC3)cc2)CC1 764077520 PNSRSDHAZJKKAP-UHFFFAOYSA-N 437.522 -0.101 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1CSCC(=O)N1 1149649761 OYDPGLPUFWURII-HNNXBMFYSA-N 425.942 -0.163 50 10 IBGE COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 1473859345 HVJJEPOAYOLQIC-LBPRGKRZSA-N 433.870 -0.618 50 10 IBGE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1478951432 XICVBAOWPQGTMH-SJORKVTESA-N 439.538 -0.659 50 10 IBGE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1558457408 MCPAHHVZTDNVMR-SUMWQHHRSA-N 440.522 -0.237 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3coc(CO)c3)CC2)cc1 1587964471 SLYKNIDQFBWPDW-UHFFFAOYSA-N 436.490 -0.152 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2c(B(O)O)cnn2C)C[C@H](C)N1C(=O)OCc1ccccc1 2282706736 PTMRSWHABRUZIY-KBPBESRZSA-N 436.299 -0.480 50 10 IBGE O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)NNC(=O)[C@H]1COCCO1 754863544 CYLDLEVSLDHRTB-MRXNPFEDSA-N 426.495 -0.142 50 10 IBGE C[C@@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C[C@@H](C)O1 768684723 BQNZVXXRGIMUGA-CHWSQXEVSA-N 428.511 -0.097 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)NCc1c(I)cnn1C 1479168622 ZJRAUEBWIFWYNC-QMMMGPOBSA-N 425.227 -0.093 50 10 IBGE O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1521317231 BUDIAAIBXLTGLN-KRWDZBQOSA-N 447.469 -0.295 50 10 IBGE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c1 1628755423 UTXYXKQMYUKKLD-UHFFFAOYSA-N 434.279 -0.470 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282727109 WJHIIMAKUYYQFD-VHSXEESVSA-N 440.736 -0.270 50 10 IBGE O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 788939824 LRDVLUPVCQVTMA-HOTGVXAUSA-N 426.495 -0.449 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CC1 1633978905 NHTYBPVBWIZYIR-KRWDZBQOSA-N 432.525 -0.252 50 10 IBGE Cn1cc(/C=C/C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O 11775323 UBZBWGMFIJDOIN-CMDGGOBGSA-N 440.504 -0.543 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 1635874032 MLWQGVNCFZPXSL-UHFFFAOYSA-N 432.549 -0.131 50 10 IBGE COc1cc(Br)cc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)c1O 169892652 JWWJNSOKWODZDO-UBKPWBPPSA-N 427.215 -0.113 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c[nH]c3ccc(Cl)cc23)n(C)c1=O 765729651 FATNUJREGIXCNJ-UHFFFAOYSA-N 443.851 -0.042 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccc(F)cc3F)CCC2)n(C)c1=O 777419101 HAOOFVZNEVENON-UHFFFAOYSA-N 446.414 -0.019 50 10 IBGE COCCCNC(=S)N(C)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1587324813 KLIIWYQWNYFKKK-UHFFFAOYSA-N 446.331 -0.234 50 10 IBGE Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1194348815 RCCBAZPWJJGJCI-UHFFFAOYSA-N 445.567 -0.725 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 1454277191 JSROEFGUXNUAPJ-UHFFFAOYSA-N 431.536 -0.014 50 10 IBGE COc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncn1 1530379766 DVMQBNOXBVTWQI-UHFFFAOYSA-N 449.489 -0.100 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2cc(B(O)O)cs2)C1 2267613335 VOALPMFLMLVZPB-HNNXBMFYSA-N 440.308 -0.256 50 10 IBGE COc1cccc(/C(C)=C\C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729717 ZLHUCZCWNNQLIQ-WQLSENKSSA-N 426.433 -0.307 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@]3(O)CCCOC3)nc2)CC1 1230559481 LXIDSTXFZQLVDC-GOSISDBHSA-N 442.542 -0.425 50 10 IBGE C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1264258030 MHXFLQLGAQAZHU-UONOGXRCSA-N 432.543 -0.054 50 10 IBGE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1303882974 MCRJXTJLVYMYFC-CVEARBPZSA-N 425.530 -0.062 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1COCCN1CC(F)F 1445564703 JKXCHNKWYBOCRR-INIZCTEOSA-N 439.463 -0.442 50 10 IBGE O=C(COc1ccccc1Cc1ccccc1)NNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1457479429 HHKFXTFBWKTXRN-INIZCTEOSA-N 431.470 -0.283 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1557664075 LGWKXXSLWACJEB-UONOGXRCSA-N 428.536 -0.179 50 10 IBGE Cn1cc(C[C@@H](O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 787127383 UBGHCPPIFPXOJF-GOSISDBHSA-N 434.928 -0.058 50 10 IBGE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 816824914 OJFYAMHKAVDXNG-GTNSWQLSSA-N 435.474 -0.456 50 10 IBGE NS(=O)(=O)CCOCCNC(=O)NNC(=O)c1ccc(F)cc1Br 1470441816 ZJUKMFSWTOCZFS-UHFFFAOYSA-N 427.252 -0.163 50 10 IBGE CC(C)OC(=O)NN(C(=O)OC(C)C)[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@H](O)[C@@H]1O 1616172824 SNYDUHOVQJAAFL-RUZUBIRVSA-N 430.458 -0.707 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ccc1=O 1636482958 TWYHGOVKFYGRPE-OAHLLOKOSA-N 434.474 -0.083 50 10 IBGE O=C(CN1CCCCC(=O)C1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1650630933 HLWROCSUFDQHLP-UHFFFAOYSA-N 436.490 -0.186 50 10 IBGE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)[C@H]1CCc2nncn2C1 816876722 CHPWWTYSARZPSC-JTQLQIEISA-N 446.411 -0.015 50 10 IBGE O=C([C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)CBr)CC1 1152745142 CURMYUDDYBIMLD-OLZOCXBDSA-N 447.311 -0.216 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635240 HHCFGEIZUMDRKR-APPDUMDISA-N 426.882 -0.020 50 10 IBGE O=C(NNC(=O)c1csc(N2CCOCC2)n1)N[C@H]1CCN(C2CCOCC2)C1=O 1684314921 NUTKLJCLCJAXEV-ZDUSSCGKSA-N 438.510 -0.296 50 10 IBGE COCCOc1ccc(/C=C(\C#N)C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 1866385740 HHUXEHWPJBDAHM-QCIDEEOMSA-N 438.458 -0.310 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 1470660472 ARIIHUXQTKPADL-UHFFFAOYSA-N 435.499 -0.001 50 10 IBGE CO[C@@H]1COCC[C@H]1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558898748 FSZQENBDTYLWAZ-WMLDXEAASA-N 441.506 -0.090 50 10 IBGE C#CCN(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1682964841 YUIXWNZAGPGYIJ-UHFFFAOYSA-N 437.522 -0.393 50 10 IBGE O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 798314284 FFRHJEFYSGGPTI-GARJFASQSA-N 428.433 -0.011 50 10 IBGE CN(C)S(=O)(=O)N[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCCC1 1312942889 NIKCUDXUCPMIDC-UKRRQHHQSA-N 425.577 -0.678 50 10 IBGE CC(C)(O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1634249833 LLSUGKVIVJECFG-UHFFFAOYSA-N 427.479 -0.223 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNS(=O)(=O)CI 2209518074 BZUBOTAZCMVZBI-XHNCKOQMSA-N 436.268 -0.361 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 1472517995 UUIKEYSIJRWETO-ZDUSSCGKSA-N 431.540 -0.714 50 10 IBGE Cn1nc(C(=O)NNC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c2ccccc2c1=O 1540305399 RGPPKOJPUOHKRM-WDEREUQCSA-N 432.380 -0.082 50 10 IBGE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NNC(=O)CO)c1=O 1641423572 CHHGTKOPZQBXIR-UHFFFAOYSA-N 433.259 -0.111 50 10 IBGE CC[C@H](CNS(C)(=O)=O)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1681241696 RQNJRBGNFSKBDJ-MRXNPFEDSA-N 440.570 -0.143 50 10 IBGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2 39919030 AXRVHWQNVYEYDR-HSZRJFAPSA-N 448.483 -0.077 50 10 IBGE Cn1cc(C(=O)NNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cn1 1293761319 PQQIAISKCBXDEW-MRVWCRGKSA-N 441.510 -0.149 50 10 IBGE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)[C@H]1COCCO1 762234453 NYCZERRLFKTKBZ-MRXNPFEDSA-N 428.511 -0.599 50 10 IBGE O=C(CNC(=O)NNC(=O)[C@@H]1COCCO1)Nc1ccc(I)cc1 790751826 DMMLSRBMXRYIFR-NSHDSACASA-N 448.217 -0.025 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cc3ccc(C(N)=O)nc3)cc2)CC1 1151459330 JUQNFBNBVXICJQ-UHFFFAOYSA-N 432.506 -0.198 50 10 IBGE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)[C@H]1CCc2nncn2C1 816884298 WHJJOWDKQHQTGU-KPZWWZAWSA-N 437.460 -0.536 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)CC2=O)cn1 1135312319 HMHBIICGLNRVBY-CXAGYDPISA-N 429.433 -0.130 50 10 IBGE Cn1nc(I)cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1136390164 VLDJBRKVXWQGMQ-ZCFIWIBFSA-N 427.224 -0.844 50 10 IBGE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c1 1540558031 WVIYNFZEXLILOI-UHFFFAOYSA-N 438.292 -0.639 50 10 IBGE CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 1566975465 PSLPUQVATZFXRG-UHFFFAOYSA-N 426.314 -0.075 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ncccn2)c1 1585301527 JAGRQJZDOPUWBC-UHFFFAOYSA-N 434.478 -0.362 50 10 IBGE O=C(NNC(=O)[C@@H]1CCCCO1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1251731439 HBQBFNMZBQOLSP-HNNXBMFYSA-N 440.478 -0.270 50 10 IBGE O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1OCC[C@H]1c1ccccc1 790325006 GHMSAPRKHWATRO-HBFSDRIKSA-N 430.505 -0.113 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CO[C@@H]2CCCc3ccccc32)n(C)c1=O 797743378 PJTUXMCBUWSUAQ-OAHLLOKOSA-N 440.460 -0.325 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912953169 TUJMBMQHBIRCTE-KOLCDFICSA-N 447.311 -0.416 50 10 IBGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)N(C)C 1080323721 QVANPDMQXAKOJJ-HNNXBMFYSA-N 428.445 -0.310 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC2)cc1C 1149617721 RFBPFRPUNYFBEH-UHFFFAOYSA-N 431.536 -0.104 50 10 IBGE O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)[C@H]1CCN1C1CCOCC1 1638870954 MWXAKDYKOGOBOO-CQSZACIVSA-N 432.449 -0.356 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1156083709 PBNKWIXYTOPXCY-GJZGRUSLSA-N 439.513 -0.676 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)[C@H]1c1nccn1C 1515368257 KRJNKYHPALLWDT-ROUUACIJSA-N 425.449 -0.254 50 10 IBGE Cc1nc(S(=O)(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282334347 AFRCGKVVWBUNTI-GOSISDBHSA-N 436.299 -0.512 50 10 IBGE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B(O)O 2282849505 CAWUVANVSRGUGX-ONGXEEELSA-N 437.374 -0.407 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCN(C(=O)OC(C)(C)C)CC2)n(C)c1=O 764811877 CKCRBSKMMKKLPE-UHFFFAOYSA-N 433.469 -0.063 50 10 IBGE CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)s1 1635371703 HUDGNJPABVHCCF-AWEZNQCLSA-N 430.552 -0.146 50 10 IBGE CCO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1682527224 KCFFENAZEDJUOA-HUUCEWRRSA-N 428.515 -0.552 50 10 IBGE O=C(NC1CC(NS(=O)(=O)Cc2ncsc2B(O)O)C1)OCc1ccccc1 2255888620 SKFXRZASFCPMHI-UHFFFAOYSA-N 425.297 -0.300 50 10 IBGE O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)NNC(=O)[C@H]2COCCO2)c1 745674813 QYRIEVMVNACQSF-QGZVFWFLSA-N 435.481 -0.407 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)/C=C/c2ccccc2F)n(C)c1=O 799922157 DGDHKNPFUBRZIQ-BQYQJAHWSA-N 436.425 -0.806 50 10 IBGE COCCOCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1150755792 VGFFSKZQMRREOD-UHFFFAOYSA-N 429.373 -0.326 50 10 IBGE Cn1nc2c(c1C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)CS(=O)(=O)CC2 1156088840 XXUACKIUJYYQPW-LBPRGKRZSA-N 427.483 -0.339 50 10 IBGE CCN1C[C@H](CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1=O 1478929932 PGXQRKNGDCLABJ-AWEZNQCLSA-N 439.542 -0.488 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B(O)O)C[C@@H](C)N1C(=O)OCc1ccccc1 2282417840 FEUISTNRLUWRFA-ZIAGYGMSSA-N 436.299 -0.480 50 10 IBGE CCCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765121659 BOMWADYSKDYOQM-UHFFFAOYSA-N 434.478 -0.604 50 10 IBGE Cc1cc(OC(F)F)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765729110 BARGBSMIPYRUQE-UHFFFAOYSA-N 442.404 -0.134 50 10 IBGE CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)[C@@H]3CCN3C3CCOCC3)ccc21 1596923914 XQCKOOLQYKBGSO-IBGZPJMESA-N 443.504 -0.274 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)N1 1633925977 VERGODVJWAQZFQ-GFCCVEGCSA-N 445.295 -0.071 50 10 IBGE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)CI)C1 1910136896 WAZUAMBUXUHAQI-NTSWFWBYSA-N 443.185 -0.437 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2187584371 OSFJXXBXLHQYQB-NDBYEHHHSA-N 425.935 -0.533 50 10 IBGE Cn1nc(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(B(O)O)c1Cl 2282261678 CWTFGUMJJRLMFI-STQMWFEESA-N 436.661 -0.433 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)NCCc1nnc2c(=O)n(C)ccn12 1565362588 UDFYBZTVMCLDJQ-UHFFFAOYSA-N 437.258 -0.284 50 10 IBGE C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1687592941 DXISOFXCHJWVLF-QGZVFWFLSA-N 449.533 -0.251 50 10 IBGE CC(=O)NS(=O)(=O)c1ccc(NN=C2C(=O)N(C[C@@H](C)O)C(=O)C(C#N)=C2C)cc1 263629504 PUTAZHZCMIEFFD-SNVBAGLBSA-N 433.446 -0.131 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1COCCO1 746003559 PWXYPRFINGAEFM-AWEZNQCLSA-N 432.886 -0.198 50 10 IBGE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)c3cc(B(O)O)ccc3F)cc2)CC1 1464830511 ONJVLCBKEYOAKU-UHFFFAOYSA-N 428.273 -0.032 50 10 IBGE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H]1COCCO1 1566168784 SHTFVKSKLVXYLJ-UONOGXRCSA-N 447.897 -0.564 50 10 IBGE C[C@H](Cn1ccc2ccccc21)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802762390 FIUVWRSCEWOICJ-CYBMUJFWSA-N 437.460 -0.128 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCN(c3ccccc3F)C2)n(C)c1=O 810591250 AZKWULMXXRHDEQ-LBPRGKRZSA-N 443.439 -0.753 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)N1 1131507738 DZOFBSJYTPEEJX-AWEZNQCLSA-N 430.433 -0.209 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C)n3C)CC2)cc1 1137299369 PODKRQGVUCPCOO-UHFFFAOYSA-N 434.522 -0.196 50 10 IBGE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NNC(=O)[C@@H]2COCCO2)cc1 1148561798 UYVFWVWXSPIUSN-PVAVHDDUSA-N 441.506 -0.503 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCS(=O)(=O)c1cccc(Br)c1 1648000229 WAFKJWGWEMUTOW-UHFFFAOYSA-N 427.298 -0.195 50 10 IBGE CC(C)(CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)CS(N)(=O)=O 1687334886 LANOAYMCUVEYBR-UHFFFAOYSA-N 440.570 -0.156 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NC23CC4CC(CC(C4)C2)C3)n(C)c1=O 764512266 AJOSXVQNYMXGAT-UHFFFAOYSA-N 445.549 -0.102 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(CO)nc3)CC2)cc1 1566278364 AADRPMPMCFMNOA-UHFFFAOYSA-N 447.517 -0.350 50 10 IBGE CN(NC(=O)C1(CS(C)(=O)=O)COC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1447351306 YJHYMTRTZGHRSC-UHFFFAOYSA-N 434.515 -0.317 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1479497458 CDCVAAWIKHMAOY-CHWSQXEVSA-N 443.501 -0.412 50 10 IBGE O=C(c1ccc(-n2[nH]c(O)nc2=O)cc1)N1CCN(S(=O)(=O)CBr)CC1 1566974170 VSLWPQKYHGUFTQ-UHFFFAOYSA-N 446.283 -0.294 50 10 IBGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)c1ccccc1O 252621113 MTHKSROUAKSQOU-UHFFFAOYSA-N 427.425 -0.076 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)[C@@H]2COCCO2)cc1 744642713 MJEIXIYHGPEACY-IRXDYDNUSA-N 439.490 -0.005 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cnc(C)o3)CC2)cc1 1622153416 FQQJMFGUPUTPKB-UHFFFAOYSA-N 435.506 -0.012 50 10 IBGE Cc1csc(CC(=O)NNC(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)n1 1659511987 CNVMTFKCAWQJRD-UHFFFAOYSA-N 429.549 -0.091 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267618987 LGZUSZKWBIXPLS-RKDXNWHRSA-N 426.709 -0.660 50 10 IBGE O=C1O[C@@H]([C@@H](O)CO)C(=N/NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 15775088 DQSKDXHDAZGSHT-UFZMXEGPSA-N 442.384 -0.752 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 745816324 FQZJXFAOACWFDF-GJZGRUSLSA-N 435.485 -0.972 50 10 IBGE CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)CCC(=O)N2C 754710374 DYLDAUMFPIEMTE-UHFFFAOYSA-N 437.460 -0.117 50 10 IBGE CN(C)CCn1nccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1294587832 NPXCTTGZVSZYJZ-UHFFFAOYSA-N 427.509 -0.336 50 10 IBGE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CCCC1 1312942891 NIKCUDXUCPMIDC-ZFWWWQNUSA-N 425.577 -0.678 50 10 IBGE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCC1 1319078212 VTVUHCRKMYUBGV-ZDUSSCGKSA-N 425.511 -0.338 50 10 IBGE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)CI)C1 1910136899 WAZUAMBUXUHAQI-PHDIDXHHSA-N 443.185 -0.437 50 10 IBGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)N(C)C 199503930 QVANPDMQXAKOJJ-NRUITVPNSA-N 428.445 -0.310 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1COCCO1 744644142 SNMGKDJSWGBYIL-QWHCGFSZSA-N 435.499 -0.212 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccc(Br)cc2)n1 1472505114 PYGKRKCQKGDOTL-QMMMGPOBSA-N 431.272 -0.272 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866367714 IOYPWXWQBPDJIE-LZUUCWSKSA-N 429.267 -0.750 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2c(F)cccc2F)n(C)c1=O 1445556060 XXQSLRFVFXIIOR-UHFFFAOYSA-N 434.403 -0.118 50 10 IBGE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1652301860 RNNMXDXOJVOUSF-LNSITVRQSA-N 446.551 -0.824 50 10 IBGE COC(=O)[C@@H](I)CNS(=O)(=O)C1CCS(=O)(=O)CC1 234612230 FMLFYDGPTCWSFQ-QMMMGPOBSA-N 425.266 -0.540 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=CC2(CN3CCOCC3)CCCCC2)n(C)c1=O 764811987 DXAGUMKFXZHCQZ-UHFFFAOYSA-N 445.524 -0.182 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCS(=O)(=O)c3ccc(F)cc32)n(C)c1=O 764811850 BTRHPMKYROCGRB-UHFFFAOYSA-N 448.436 -0.729 50 10 IBGE C[C@H](SCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729752 FVRNZSMXERHTQS-LBPRGKRZSA-N 430.490 -0.097 50 10 IBGE C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1565440301 MLOQZJNRGRFRQZ-OUCADQQQSA-N 425.486 -0.038 50 10 IBGE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 778554309 NMJSGBRTAHHTBB-HUUCEWRRSA-N 427.479 -0.100 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C#N)n3C)CC2)cc1 1137299381 PYBYGNLKCUDKMX-UHFFFAOYSA-N 444.517 -0.027 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C34CCN(CC3)C4)CC2)cc1 1294587810 MPESUKJLMZGVJY-UHFFFAOYSA-N 435.550 -0.455 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccccn3)cc2)CC1 729393409 RMTAYQCHJXUWRI-UHFFFAOYSA-N 445.501 -0.062 50 10 IBGE C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 790892229 WTYSQWDPFVYOSC-JOCHJYFZSA-N 441.488 -0.795 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c[nH]c3cccc(Cl)c23)n(C)c1=O 814316621 DVSGITZZTYBHMW-UHFFFAOYSA-N 443.851 -0.042 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nc[nH]c2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1160403370 FHIGWZPRODBGDE-AWEZNQCLSA-N 433.490 -0.003 50 10 IBGE C=CCn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 1351173798 LXIBMCDPHUKYAF-UHFFFAOYSA-N 448.505 -0.121 50 10 IBGE C[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)n1cnc2c(N)ncnc21 1466476044 RDRRWHUOVGKCIV-VIFPVBQESA-N 432.304 -0.204 50 10 IBGE CCOC(=O)C[C@@H](O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1545430980 YQZYXIRRGCDYLL-MRXNPFEDSA-N 426.901 -0.081 50 10 IBGE O=C(CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)NNC(=O)c1cccs1 1559766567 AJNUNUQGVOLQAT-UHFFFAOYSA-N 443.473 -0.040 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1639935294 TXCRWTRJVPXBSZ-KCQAQPDRSA-N 441.506 -0.199 50 10 IBGE O=C(NNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)N[C@H]1CCS(=O)(=O)C1 726767126 XYSPWMYRRJUXED-QMMMGPOBSA-N 425.872 -0.209 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3ccnc3C)CC2)cc1 1137298782 BKCBNUGMQLPZMB-UHFFFAOYSA-N 434.522 -0.346 50 10 IBGE COC(=O)c1ccn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)n1 1566279590 WFFGGQJYZCWATD-UHFFFAOYSA-N 428.493 -0.057 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1639494535 OMGUYCLTBMVRDM-UHFFFAOYSA-N 445.567 -0.257 50 10 IBGE CC(N)=C(C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 2053505736 VVVQXGAVJMERJW-UHFFFAOYSA-N 425.423 -0.192 50 10 IBGE O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)c2)CCN1 748277770 WBSXAOSYSZAOKI-QGZVFWFLSA-N 444.469 -0.428 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc2)CC1 761064342 XDABVJMBXKTPIK-UHFFFAOYSA-N 425.511 -0.245 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(Br)c2)n(C)c1=O 766635936 JYZTZOSTWDCNEC-UHFFFAOYSA-N 441.267 -0.281 50 10 IBGE C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 790471149 FRVNOYZZOXBRIR-FQEVSTJZSA-N 448.501 -0.155 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2)cn1C 1355819745 XMKAVCXGPOKFLI-OAHLLOKOSA-N 447.583 -0.378 50 10 IBGE CN(C)CCn1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 1545423938 GWFGUURYPJFQMM-UHFFFAOYSA-N 427.509 -0.336 50 10 IBGE CC[C@H](NC(=O)C1=C[C@H](N(NC(=O)OC(C)C)C(=O)OC(C)C)[C@H](O)[C@@H](O)C1)C(N)=O 1616175602 NBGLXJZWVFDSBQ-AJNGGQMLSA-N 444.485 -0.316 50 10 IBGE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ncc(Br)cc1B(O)O 2240345669 WECRMWRKOAKFDZ-MRXNPFEDSA-N 446.107 -0.384 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)N1 1438034816 HLQFDAPULVLEBB-ZDUSSCGKSA-N 430.433 -0.209 50 10 IBGE O=C(NNC(=O)c1ccc2c(c1)COB2O)c1cccc(S(=O)(=O)N2CCCC2)c1 1538393555 XYFWXBPVYPCQNM-UHFFFAOYSA-N 429.263 -0.236 50 10 IBGE CO[C@@H]1CCOC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1685486479 CTLDBRNHTOHTQV-HUUCEWRRSA-N 428.515 -0.552 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2187580264 OSFJXXBXLHQYQB-ZDEQEGDKSA-N 425.935 -0.533 50 10 IBGE Cc1cc(N(C)C)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755808761 DFKVDRBSLRUMDG-UHFFFAOYSA-N 428.453 -0.339 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 1647996995 KEPQSVFVLLTEQV-UHFFFAOYSA-N 427.551 -0.709 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B(O)O)CCN1C(=O)OC(C)(C)C 2247785070 FPAZAJSSAVGSNW-UHFFFAOYSA-N 439.278 -0.066 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282359097 JHMFECMVLDVSFD-WPRPVWTQSA-N 440.736 -0.413 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1COCCO1 744652275 GJBUTBNSQMBUFF-GFCCVEGCSA-N 436.284 -0.320 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3[nH]cnc3C)CC2)cc1 1445554812 VLNTYOVNQFYTEM-UHFFFAOYSA-N 434.522 -0.277 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CC[C@H]4CN(C)C[C@@H]43)nc2)CC1 1639063310 MMOCFPQRWIZKOQ-BHYGNILZSA-N 437.570 -0.016 50 10 IBGE CC(C)(C)OC(=O)NCC(CO)(CO)NS(=O)(=O)N1CCC(Br)CC1 2254509924 UDXKNQOTRNOTHV-UHFFFAOYSA-N 446.364 -0.072 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282372640 ZJINGKYXVYJVRM-IUCAKERBSA-N 440.736 -0.270 50 10 IBGE O=C(NNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1COCCO1 746001198 DFWGDSRQZQASSB-HNNXBMFYSA-N 430.458 -0.322 50 10 IBGE CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1466200828 PEIKSKNFYCZERZ-ZDUSSCGKSA-N 433.556 -0.606 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C)nn3)CC2)cc1 1622153337 BRFJHWWRJZSPFR-UHFFFAOYSA-N 432.506 -0.139 50 10 IBGE O=C(CCC(=O)N1CCC(O)CC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1630996683 PYQUXDHQEHFEJC-UHFFFAOYSA-N 445.520 -0.645 50 10 IBGE CC[C@@H](CNS(C)(=O)=O)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1681241695 RQNJRBGNFSKBDJ-INIZCTEOSA-N 440.570 -0.143 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282371417 JGJKBFXJFJBZBM-PSASIEDQSA-N 440.736 -0.101 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 750661042 ADZPMSQLKDDUTK-IIAWOOMASA-N 437.522 -0.045 50 10 IBGE Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729765 GGVHYZLIJLCCIP-UHFFFAOYSA-N 439.354 -0.383 50 10 IBGE CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1 1141350083 RHMDGLMFJZVWIB-UHFFFAOYSA-N 428.496 -0.476 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C1=NN2CCCN=C2N1 1631015485 XMJLBMFUWAYFKI-UHFFFAOYSA-N 432.916 -0.417 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1cscc1B(O)O)OCc1ccccc1 2267624113 SWEKRTWTFKKVCQ-CABCVRRESA-N 440.308 -0.210 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)NC[C@@]12COCCN1C(=O)COC2 1235028475 OYFMCXBNXDWWGY-HNNXBMFYSA-N 430.259 -0.641 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H](O)C1CCC1 1628671611 FXJTTWHTTSINIR-GOSISDBHSA-N 425.507 -0.052 50 10 IBGE CNC(=O)Cn1cc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 757867097 QDATZYNCMYXGCK-UHFFFAOYSA-N 428.497 -0.006 50 10 IBGE CCNC(=O)N1CC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 761781382 XNJMQEAMFYEENM-AWEZNQCLSA-N 440.526 -0.250 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C1=CCS(=O)(=O)C1 1149649217 BEKPVMUSJGIQNK-UHFFFAOYSA-N 426.926 -0.040 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3nc4n(c3=O)CCCC4)CC2)cc1 1294590008 BLCUIBHWZOHVBP-UHFFFAOYSA-N 441.536 -0.345 50 10 IBGE CSCC[C@H](NC(N)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1466202124 FZSDUOLCGGQAHG-HNNXBMFYSA-N 444.583 -0.144 50 10 IBGE CC[C@H](O)[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1545424262 SWNWFUKCCZDDFA-WBVHZDCISA-N 426.539 -0.144 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN3CCCC3=O)nc2)CC1 1683659081 BCXMVQPUVBZELU-UHFFFAOYSA-N 425.515 -0.734 50 10 IBGE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2285474873 WVYAKMUVJWBYAM-AVGNSLFASA-N 427.951 -0.286 50 10 IBGE O=C(O)[C@H](CB(O)O)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338838763 YGYVIBSJDWLDFS-AWEZNQCLSA-N 426.256 -0.312 50 10 IBGE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1585692051 FVYAZEBZEOHSRC-HNNXBMFYSA-N 425.511 -0.735 50 10 IBGE O=C1CN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCN1 1618593508 AMFRLFKYAJPVBU-UHFFFAOYSA-N 445.501 -0.642 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 2243434046 UDBHVKXFFCKXHR-UHFFFAOYSA-N 438.315 -0.185 50 10 IBGE COC(=O)CCCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 921127931 JXYHJKNJZGJTOF-UHFFFAOYSA-N 428.515 -0.013 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CC(=O)N(CC3CC3)C2)cc1 1687429368 IXWRDTMJWHDKNI-HNNXBMFYSA-N 437.522 -0.043 50 10 IBGE CC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N 254808590 SWMRTFKBKYMPSK-UHFFFAOYSA-N 439.356 -0.400 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C#N)cn3C)CC2)cc1 765728624 NHHVRPMGRSBBRA-UHFFFAOYSA-N 444.517 -0.027 50 10 IBGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)N(C)C 1080323722 QVANPDMQXAKOJJ-OAHLLOKOSA-N 428.445 -0.310 50 10 IBGE COc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 1130340286 WETQQGHJKMIQCE-HIFRSBDPSA-N 441.506 -0.169 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c2)C[C@H](C)O1 1301697731 PGBJLLZRGWGLQO-RYUDHWBXSA-N 433.508 -0.710 50 10 IBGE Cc1[nH]nc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1I 1625567182 DDUNXIAAKXGHRJ-LURJTMIESA-N 427.224 -0.546 50 10 IBGE CN(C[C@H](O)CN(C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(=O)OC(C)(C)C 2282723363 DNPXOMIMLNBISY-VIFPVBQESA-N 442.752 -0.070 50 10 IBGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCNC(=O)CSS(=O)(=O)O 214717094 YWRWNTLTZZIITF-OUJBWJOFSA-N 440.569 -0.519 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)[C@H]1COCCO1 810461729 FNUZYECZEGJFOM-LLVKDONJSA-N 427.357 -0.574 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN(C)Cc2nnc(C)n2C)cc1 746094000 PXOPDAFHIAXLAN-UHFFFAOYSA-N 437.526 -0.668 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc(Br)c2)n(C)c1=O 765726711 FOKVAQGLJOGKRB-UHFFFAOYSA-N 449.265 -0.414 50 10 IBGE CSc1ccccc1S(=O)(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 780397437 AVYLVRGBSUTVMV-UHFFFAOYSA-N 438.491 -0.835 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C[C@H](C)O)CC2)cc1 1299007096 JTOKMLHONQPMOB-INIZCTEOSA-N 426.539 -0.048 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NNC(=O)[C@H]2CCCCO2)C1 1556782804 SVAIRNCWBGHKFF-SNUQEOBHSA-N 431.511 -0.015 50 10 IBGE CN(CC(=O)NNC(=O)c1cn(C)nn1)S(=O)(=O)c1ccc(Br)cc1 1586153824 JRASROIJCGCOHZ-UHFFFAOYSA-N 431.272 -0.341 50 10 IBGE Cn1nnc(B(O)O)c1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2243399228 KNADIWRBDCXYEE-UHFFFAOYSA-N 439.303 -0.790 50 10 IBGE O=C(NNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1COCCO1 746003283 OVOZUJSOQNYKEQ-HIFRSBDPSA-N 430.458 -0.275 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 758031237 VQZCLYKQOFCKAQ-OCCSQVGLSA-N 428.486 -0.308 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)[C@H]3CCCO3)ccc2F)CC1 814342771 IJQHCNICAVJSSX-OAHLLOKOSA-N 442.469 -0.382 50 10 IBGE Cn1nc(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(B(O)O)c1Cl 2282261676 CWTFGUMJJRLMFI-OLZOCXBDSA-N 436.661 -0.433 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 1641668064 ZIGRVLBVAPJPDD-YKDSUIRESA-N 425.385 -0.836 50 10 IBGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 728509273 AYHDAZOTPHEFHA-SSDOTTSWSA-N 430.302 -0.295 50 10 IBGE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CC1 2267384894 GTQJYKCOKMJULA-UHFFFAOYSA-N 425.725 -0.173 50 10 IBGE C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 9635026 OQYLIESPWVBLJS-MHKDFRDQSA-N 438.418 -0.413 50 10 IBGE C[C@@H](CN(C)C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 807575069 ASJLIRSWFMRWIM-HNNXBMFYSA-N 441.554 -0.079 50 10 IBGE O=C(c1ccc(B(O)O)cc1)N1CCN(c2ncc(I)cn2)CC1 1454552298 FAGSFICCLYXWIT-UHFFFAOYSA-N 438.034 -0.277 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 1858082338 ZNVVPXYUXGFCGW-UHFFFAOYSA-N 433.531 -0.049 50 10 IBGE Cc1ncsc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 729508543 GMRVGIWQUCZUBK-RYUDHWBXSA-N 446.555 -0.222 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 745411240 CDZUZAXLHNJAAQ-MRXNPFEDSA-N 426.495 -0.106 50 10 IBGE Cc1nnc(CN(C)CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)n1C 746331122 FDGOQXDRPHJXNC-UHFFFAOYSA-N 437.526 -0.280 50 10 IBGE O=C(NCCN1CCNC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1676113740 WAJGZFDHJUCGBZ-UHFFFAOYSA-N 438.510 -0.170 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccccc1B(O)O)OCc1ccccc1 2282714151 NTBKFXMFDGSEHO-DLBZAZTESA-N 434.279 -0.271 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[C@@H]1Cc2ccccc2O1 743574659 WDPVZCLKNUKYCM-INIZCTEOSA-N 435.462 -0.134 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(O)nc(N(C)C)n3)cc2)CC1 765467921 ZGBLMHJIWFDUIR-UHFFFAOYSA-N 435.510 -0.059 50 10 IBGE CC(C)(C)OC(=O)NCCCCCC(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 1641589767 GIVNSJXTCUCTDX-UHFFFAOYSA-N 449.574 -0.204 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCCO2)c1 814343064 XPSIXJKROCHIKW-OAHLLOKOSA-N 426.495 -0.227 50 10 IBGE COC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CS(=O)(=O)C1 1350497288 XFYHDZJPTPJMHN-UHFFFAOYSA-N 431.492 -0.954 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN3CCCOCC3)nc2)CC1 1686619027 HFWQISQFBUJDRO-UHFFFAOYSA-N 441.558 -0.634 50 10 IBGE Cc1ccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1F 773672039 BMQCGLFOTFOBSH-UHFFFAOYSA-N 442.517 -0.402 50 10 IBGE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1COCCO1 1445055584 ZCPFTNOMROSHNH-UONOGXRCSA-N 447.897 -0.564 50 10 IBGE CCO[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)CN(C)C 1565326330 UATBXMTXFDTWQX-OAHLLOKOSA-N 429.543 -0.087 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@H]3CCN(C)C3)CC2)cc1 1622153656 NQWLSGGUCDUWED-QGZVFWFLSA-N 437.566 -0.209 50 10 IBGE C=CCn1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1630996858 XELXJNQJKMMYSR-UHFFFAOYSA-N 447.521 -0.460 50 10 IBGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC2)cc1 1634355121 DIOMTIIMLFADAR-UHFFFAOYSA-N 433.508 -0.712 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1635878358 ZYSHKKLKGQARHU-XXSPCDMZSA-N 430.383 -0.258 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H]([S@](C)=O)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 1848435076 XSLGFIQRVCXUEU-NCXVHTMQSA-N 440.990 -0.595 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@H]2COCCO2)cc1 744643482 PEHJXDHIVCCVRS-MRXNPFEDSA-N 427.479 -0.147 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)[C@H]1CCCO1 817214317 JWTFPVBDJMRGOA-QGZVFWFLSA-N 440.522 -0.039 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCc1nnc2c(=O)[nH]ccn12 1251112775 SHNFLZNPSMXTMP-UHFFFAOYSA-N 439.480 -0.540 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@H]3C[C@@H](N(C)C)C3)nc2)CC1 1470643921 VOJXPRVDVMTIFX-GASCZTMLSA-N 425.559 -0.016 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N[C@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2282509847 QDUWAEORADTSGT-GOSISDBHSA-N 436.299 -0.431 50 10 IBGE COCCCOc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765728962 ANMIIJJXLDAGBH-UHFFFAOYSA-N 444.448 -0.690 50 10 IBGE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1=O 1137882574 XSTUCEFGRMFQQO-LLVKDONJSA-N 440.316 -0.776 50 10 IBGE CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1450720200 DLBRYXLVXYVIQW-UHFFFAOYSA-N 428.496 -0.476 50 10 IBGE CN(C)c1noc(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1587968668 MNLAUYFRJHYIGH-UHFFFAOYSA-N 429.481 -0.326 50 10 IBGE O=C(NNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)[C@H]1COCCO1 746000074 YLGJVJTYBDUVMV-GOSISDBHSA-N 431.493 -0.260 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(OC)CS(=O)(=O)C2)c1 1440328931 LZJVTILOWNCHTQ-UHFFFAOYSA-N 433.508 -0.708 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3COCCO3)cc2)C[C@@H](C)O1 744649782 MTNGZZWHDQDKRZ-XJKCOSOUSA-N 427.479 -0.339 50 10 IBGE CCN1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O 1251285806 IRSPEWOIYVEZTI-AWEZNQCLSA-N 439.494 -0.728 50 10 IBGE O=C(NNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)[C@@H]1CCS(=O)(=O)C1 758146604 QASNEJNSMLCRGR-CYBMUJFWSA-N 427.504 -0.344 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)N[C@@H]1[C@H]2COC[C@H]21 793452751 WJTQJHFJTPQOAP-VQFNDLOPSA-N 438.506 -0.385 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cc(B(O)O)ccc1F 1149650111 XTIRLQFOAKKLIP-UHFFFAOYSA-N 448.691 -0.262 50 10 IBGE CN1CC[C@H]1CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1313324167 CSAGXUVNGLZKTM-INIZCTEOSA-N 439.538 -0.325 50 10 IBGE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C1=O 1456035834 DYEWSZAYLVUSJP-IIBYNOLFSA-N 429.477 -0.146 50 10 IBGE COC(=O)c1ccc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 1558940365 RXNKESZOBRMTGP-UHFFFAOYSA-N 448.505 -0.115 50 10 IBGE COc1ccc(CC(=O)NNC(=O)c2ncccn2)cc1S(=O)(=O)N1CCOCC1 1584132319 AOWNRZZHJVRVAQ-UHFFFAOYSA-N 435.462 -0.490 50 10 IBGE O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(S(=O)(=O)CBr)CC1 1624127756 KFRGCITYYGUJTD-UHFFFAOYSA-N 431.268 -0.344 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 1624409710 GNKMMOIODOSRIP-DZGCQCFKSA-N 432.568 -0.103 50 10 IBGE C[C@H](Cn1ncc2ccccc21)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802763098 QPJRFQQZJNVQLT-GFCCVEGCSA-N 438.448 -0.733 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)N1 1470061495 MGAVLGIWQUVAIP-HOCLYGCPSA-N 435.456 -0.548 50 10 IBGE CO[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCOC1 1306201142 ZXPJVRXMRLHLRO-GDBMZVCRSA-N 427.479 -0.480 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C 1313425519 PATILYLFTOSICW-TZMCWYRMSA-N 425.559 -0.134 50 10 IBGE O=C(CNC(=O)CNC(=O)NNC(=O)COc1ccc(F)cc1)NCc1ccccc1 1565331282 BOJNMYYNYFREJE-UHFFFAOYSA-N 431.424 -0.033 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366752 QKPFAWNNLAVRKK-MZABERQCSA-N 429.267 -0.750 50 10 IBGE Cn1ncc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2255723771 IOUBUFHVPUFTEO-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE CCOc1cccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764513220 HKCQFMBBQGFNAR-UHFFFAOYSA-N 431.478 -0.150 50 10 IBGE C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1627448498 OQXXRYXBPQHLOW-NVAPZFDKSA-N 431.511 -0.160 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ncc(B(O)O)cn1 2364289694 CDNHXRLZCIWSJT-UHFFFAOYSA-N 432.267 -0.245 50 10 IBGE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCc1sc(Cl)cc1B(O)O 2369896494 CAVLMMVOTMDODV-VIFPVBQESA-N 440.736 -0.365 50 10 IBGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14645283 HTWGUBMQLUNOFX-UHFFFAOYSA-N 428.423 -0.035 50 10 IBGE CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643458 BCQHCGZWCNXPKK-UHFFFAOYSA-N 439.538 -0.690 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3ccncn3)CC2)cc1 1545423857 CYGCYLIQSBCMJQ-QPJJXVBHSA-N 444.517 -0.048 50 10 IBGE C[C@@]1(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCS(=O)(=O)N1 1545424320 VOVRATHQNHITIV-IBGZPJMESA-N 437.522 -0.936 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)c1c[nH]c2ccc(I)cc2c1=O 1647999869 HAHASMBSESOJOM-UHFFFAOYSA-N 449.226 -0.062 50 10 IBGE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 1659652360 RXFGXTKRNYFSSN-ZDUSSCGKSA-N 428.511 -0.274 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 744647887 CQKWNTIDCMABAB-QGZVFWFLSA-N 439.490 -0.147 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 814305163 FUACIUBACFWUQH-CABCVRRESA-N 427.465 -0.149 50 10 IBGE CN1C(=O)CO[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)[C@H]1c1cccnc1 1360182390 OPYKBDCJXUYVHU-MSOLQXFVSA-N 439.476 -0.166 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCCS2(=O)=O)c1 1463535089 IQQLUBIQDBNOJV-UHFFFAOYSA-N 446.551 -0.096 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(=O)n(C)c3)CC2)cn1C 1538751768 XZGSVDZIOSIDHL-UHFFFAOYSA-N 436.494 -0.711 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1Br 1587113112 AZRJQYLPYXWLLT-SNVBAGLBSA-N 433.284 -0.261 50 10 IBGE Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)ccc1=O 1653053332 BRNZAIHFDCTUCC-AWEZNQCLSA-N 435.481 -0.090 50 10 IBGE O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)NNC(=O)[C@@H]1COCCO1 745402218 AFGOFZASPZMSNU-INIZCTEOSA-N 442.494 -0.906 50 10 IBGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1530203209 AXEQLHPJCXXORU-JSGCOSHPSA-N 427.479 -0.098 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(=O)c2ccc(F)c(F)c2)n(C)c1=O 765723915 FXLGOXJZWULMMN-UHFFFAOYSA-N 448.386 -0.478 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1OC 810090900 ALOVUYDKFOQASY-UHFFFAOYSA-N 443.526 -0.721 50 10 IBGE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)CN1CCCC1=O 1643804164 GIGZJFAOUNHWEQ-UHFFFAOYSA-N 439.538 -0.392 50 10 IBGE Cc1nn(C)c(B(O)O)c1C(=O)N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2281846285 WGRGNNDIANFKEH-GFCCVEGCSA-N 428.176 -0.005 50 10 IBGE O=C(NNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1COCCO1 746003281 OVOZUJSOQNYKEQ-DZGCQCFKSA-N 430.458 -0.275 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1456022588 ZNASVRKOXXKJMF-SIJPQNPESA-N 436.465 -0.304 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)CC2)cc1 1465790358 MGFYXKPQONZEBB-BPQIPLTHSA-N 434.518 -0.208 50 10 IBGE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NNC(=O)c1cccc(Cl)c1 1644004393 QCNSJRAVPKIMFP-STQMWFEESA-N 437.840 -0.731 50 10 IBGE COCC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(C(C)C)c2C)n1N 20912066 WFTHURPRVCAMHV-NGYBGAFCSA-N 438.518 -0.282 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(n4cccn4)CC3)CC2)cc1 1149622278 LPZPNKBBNIUNGS-UHFFFAOYSA-N 446.533 -0.165 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1361112656 DQLJXDRYPMPPBD-GFCCVEGCSA-N 432.886 -0.302 50 10 IBGE Cn1nc(C(=O)NNC(=O)NCC2(N3CCOCC3)CCOCC2)c2ccccc2c1=O 1683209990 AMPDNUDAFPYSGG-UHFFFAOYSA-N 444.492 -0.241 50 10 IBGE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267391886 TWZQIBIDBFQZGB-CYBMUJFWSA-N 428.725 -0.365 50 10 IBGE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1COCCO1 1566168783 SHTFVKSKLVXYLJ-KGLIPLIRSA-N 447.897 -0.564 50 10 IBGE Cn1cc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1=O 1639797738 PPBWXJZLOKGAHN-UHFFFAOYSA-N 440.503 -0.529 50 10 IBGE CN(C)S(=O)(=O)NCCNC(=O)NNC(=O)COc1ccc(Br)cc1 1682730767 UWWRHJJXJKKBNM-UHFFFAOYSA-N 438.304 -0.446 50 10 IBGE COC(OC)[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1687390640 FFZGERANVXFMCB-LBPRGKRZSA-N 430.483 -0.341 50 10 IBGE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 757726615 ZAXOIIBIPBVLPG-ZDUSSCGKSA-N 427.845 -0.274 50 10 IBGE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 765805585 XVPBAIIBWHGRKK-INIZCTEOSA-N 442.494 -0.452 50 10 IBGE NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(F)c1 1624127478 FVPMOCKJTIYPAM-UHFFFAOYSA-N 444.304 -0.087 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267618986 LGZUSZKWBIXPLS-IUCAKERBSA-N 426.709 -0.660 50 10 IBGE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCc1sc(Cl)cc1B(O)O 2369888361 CAVLMMVOTMDODV-SECBINFHSA-N 440.736 -0.365 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NNC(=O)[C@@H]1COCCO1 745978108 FBKIJNGIOLFBCB-HNNXBMFYSA-N 447.535 -0.105 50 10 IBGE Cc1cc(Br)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766652272 AWCZADNZFRBCMW-UHFFFAOYSA-N 449.265 -0.034 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nc[nH]c2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1160403371 FHIGWZPRODBGDE-CQSZACIVSA-N 433.490 -0.003 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 1654295116 VUSUEXUXRHROCT-XVKPBYJWSA-N 433.284 -0.040 50 10 IBGE Cn1c(=O)c2c(nc(Oc3cccc(C=NNC(=O)c4nonc4N)c3)n2C)n(C)c1=O 254572629 JFSJXLIHBWBKAT-UHFFFAOYSA-N 439.392 -0.508 50 10 IBGE CNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1556921319 AFYCWDVWJFLVRP-UHFFFAOYSA-N 432.524 -0.194 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cnn4c(=O)cc[nH]c34)cc2)CC1 1632134249 OSKUKAIECLMJHE-UHFFFAOYSA-N 431.478 -0.284 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(S(=O)(=O)N(C)C)CC1 1685300615 JZOCZQFGFBKHRG-UHFFFAOYSA-N 446.555 -0.344 50 10 IBGE Cn1ncc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1B(O)O 2247733352 AZWIJFICAJKYLY-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE O=S1(=O)C[C@H](Cl)[C@H](NC(=S)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 33931226 PCZQUFSKMFOCQH-FVCCEPFGSA-N 431.001 -0.067 50 10 IBGE Cc1ncsc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 729508545 GMRVGIWQUCZUBK-TXEJJXNPSA-N 446.555 -0.222 50 10 IBGE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NNC(=O)[C@H]3COCCO3)cc2)CC1 756358555 JQXVVLPSQDYFIW-QGZVFWFLSA-N 434.497 -0.535 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n(C)c1=O 765729467 BWIFBBRWEVGEFI-MNOVXSKESA-N 432.387 -0.337 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1nc2n(c1=O)CCCC2 1530002610 BOBZLUCZUCRAQZ-UHFFFAOYSA-N 427.509 -0.259 50 10 IBGE Cc1ccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F 773666478 DBKYWPOWNZVABY-UHFFFAOYSA-N 429.474 -0.317 50 10 IBGE C[C@@H](NC(=S)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 1144119409 FBRITBVSRWLXIK-ZYHUDNBSSA-N 425.536 -0.019 50 10 IBGE O=C(NNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)c1csc(N2CCOCC2)n1 1440328354 ABNLLUINFHZYFF-IUCAKERBSA-N 442.441 -0.036 50 10 IBGE CN(CCNC(=O)NNC(=O)c1ccc(=O)n(C)c1)S(=O)(=O)c1ccc(F)cc1 1478532751 VUKQUCAUOLIFEP-UHFFFAOYSA-N 425.442 -0.211 50 10 IBGE CS(=O)(=O)CC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)COC1 1617979944 NVBMLQLXZNBNSK-UHFFFAOYSA-N 445.519 -0.707 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1CCC(=O)N1 1630431822 QAHYPVWBWAITKY-LLVKDONJSA-N 433.284 -0.457 50 10 IBGE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1646043859 FXHJOEZBVHMUGH-DYVFJYSZSA-N 440.522 -0.640 50 10 IBGE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)c1 1596922833 FKLWIRUOVUTPGC-OAHLLOKOSA-N 426.495 -0.343 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CCOC1=O 1618796194 UZVIRHNSXLGZIU-UHFFFAOYSA-N 440.478 -0.760 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)N1CCOCC1 1142559941 OVOFVTRINQKCGU-UHFFFAOYSA-N 426.373 -0.064 50 10 IBGE CS(=O)(=O)SCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1455116830 HENYPYPJYARSMX-YPMHNXCESA-N 426.513 -0.241 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCc4nnnn4CC3)CC2)cc1 1137300093 FEBOTCSXKCCEDC-GOSISDBHSA-N 426.525 -0.101 50 10 IBGE CC(=O)NCCNC(=O)CCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1538484259 GZESTHFYZNBSFB-UHFFFAOYSA-N 432.525 -0.621 50 10 IBGE CC[C@@H](O)Cn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)nn1 1631000009 OLNRDHIHBAIMBK-GOSISDBHSA-N 429.525 -0.064 50 10 IBGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ncc(B(O)O)s1 714685092 ZVNGGKQSHOJKBA-UHFFFAOYSA-N 437.308 -0.435 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912953171 TUJMBMQHBIRCTE-ONGXEEELSA-N 447.311 -0.416 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)c2)CC1 1461152206 XLDKGYKKISKEOL-SUMWQHHRSA-N 438.506 -0.275 50 10 IBGE CN(OCC(F)(F)F)C(=O)CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1637109818 KTQFCOKUYGIIHN-UHFFFAOYSA-N 430.343 -0.170 50 10 IBGE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NNC(=O)C3CCOCC3)CC2=O)C1 1685565770 UHNINOZSSQCOKE-CYBMUJFWSA-N 425.486 -0.036 50 10 IBGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B(O)O)n[nH]2)C1 2255765185 MROWIXJKGIKYKZ-INIZCTEOSA-N 443.313 -0.059 50 10 IBGE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2ccc(B(O)O)s2)s[nH]1 2282085483 YVCAXOOSWPZRJP-UHFFFAOYSA-N 434.330 -0.431 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)NC(C)C)CC2)cc1OC 1643073522 PBLVOEJPFZMRJV-UHFFFAOYSA-N 443.526 -0.675 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 794069557 IXACEKQXXYRGNL-USJZOSNVSA-N 426.429 -0.133 50 10 IBGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3ccc(B(O)O)cc3)cc2)CC1 1143465012 MWUGIWHHYUGOCU-UHFFFAOYSA-N 439.321 -0.118 50 10 IBGE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1303882977 MCRJXTJLVYMYFC-JKSUJKDBSA-N 425.530 -0.062 50 10 IBGE COc1ccc(S(=O)(=O)N2CC(NC(=O)NNC(=O)c3ccc(=O)n(C)c3)C2)cc1 1470093616 HDBJJQDMZOVALP-UHFFFAOYSA-N 435.462 -0.589 50 10 IBGE CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 1640515942 STUKGDMZIZSSGK-MRXNPFEDSA-N 439.557 -0.210 50 10 IBGE O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1645054838 ZIYAOMYLRCQCTA-SFHVURJKSA-N 441.488 -0.541 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1557978915 VOVPHQFCJPCZAS-HNNXBMFYSA-N 428.449 -0.694 50 10 IBGE CC(C)N1CC[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](c2cnn(C)c2)C1 1631030351 VDWXUBFMKKOYMI-JYJNAYRXSA-N 426.543 -0.249 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 1641071557 NJKYWHRDQAYQDD-AWEZNQCLSA-N 436.494 -0.295 50 10 IBGE CN1CCOC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1687330339 JTSDVNCAJUTPAU-HNNXBMFYSA-N 425.511 -0.254 50 10 IBGE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NNC(=O)[C@@H]2COCCO2)cc1 1148561797 UYVFWVWXSPIUSN-OIISXLGYSA-N 441.506 -0.503 50 10 IBGE O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnc(I)c(O)c1 1160954167 IWVYZGMTAKXMDV-UHFFFAOYSA-N 441.185 -0.022 50 10 IBGE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1452932109 CXUFNJIJUSLOQY-BKQXGZDCSA-N 427.523 -0.189 50 10 IBGE CC1=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)S(=O)(=O)CCO1 1463535262 KVZQUTPYEYLVAM-UHFFFAOYSA-N 443.503 -0.091 50 10 IBGE NS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)COc2ccccc2Br)C1 1633305911 MIIPWJCIKCUICA-SNVBAGLBSA-N 435.300 -0.109 50 10 IBGE Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)C(F)(F)Oc2ccccc2)n(C)c1=O 741596009 IQCIZBKFMSXKTK-UHFFFAOYSA-N 436.375 -0.357 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)n(C)c1=O 765729856 IFFSNJXNRUHFIH-GQCTYLIASA-N 426.389 -0.977 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCc3nncn3CC2)CC1 1182822678 KYMTYQLWRJEWFU-CQSZACIVSA-N 434.526 -0.295 50 10 IBGE O=C(CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)NNC(=O)c1ccccc1 1642782327 UUBONCOBJNPZMW-UHFFFAOYSA-N 437.444 -0.102 50 10 IBGE COc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(CC(N)=O)c3ccccc32)cc1OC 254512785 UCUGLULEDLVTTE-UHFFFAOYSA-N 439.428 -0.214 50 10 IBGE CC(C)n1ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1I 1160732879 HMZJHXZJZZXYBK-ZETCQYMHSA-N 443.267 -0.233 50 10 IBGE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446956707 IZSXGBGXUHBILX-UHFFFAOYSA-N 441.329 -0.371 50 10 IBGE CCO[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCOC1 1472475362 WRTJDBNIGUEHPL-RDJZCZTQSA-N 441.506 -0.090 50 10 IBGE COc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn1 1651320095 NTIFWAZMZXTGMQ-CMPLNLGQSA-N 427.508 -0.557 50 10 IBGE Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CN2CCCc3ccccc32)n(C)c1=O 17402646 GNLJXZOVGXFIPU-UHFFFAOYSA-N 439.476 -0.576 50 10 IBGE CN1CCCc2cc(NC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 756224879 VVQOJDVBWGWZJC-UHFFFAOYSA-N 440.464 -0.331 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1631010235 WGDMAVIZYGWCSO-ZHALLVOQSA-N 438.912 -0.982 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748105801 ABTJQRCOYVATSA-UHFFFAOYSA-N 438.304 -0.606 50 10 IBGE Cc1c(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)nn(C)c1B(O)O 2282294753 CGKLLKFHSQFLDT-LBPRGKRZSA-N 428.176 -0.005 50 10 IBGE COC(=O)[C@H]1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1683212854 KTODFGOCNWTKJY-BETUJISGSA-N 426.499 -0.405 50 10 IBGE COCCn1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cn1 59887431 PSJLXKZAJHJCGY-HAVNEIBRSA-N 435.392 -0.105 50 10 IBGE Cn1cc([C@@H]2[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 794888375 GBTCCAYEJKHENG-UXIGCNINSA-N 425.511 -0.310 50 10 IBGE C[C@@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC(=O)N1 1124302352 FNXYOIRJTUAVJI-IBGZPJMESA-N 438.506 -0.544 50 10 IBGE CS(=O)(=O)SCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1558071535 KBRSCSOTCVRROW-XQQFMLRXSA-N 426.582 -0.095 50 10 IBGE C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1611085816 HBICCSRMKCMELW-HIFRSBDPSA-N 440.522 -0.041 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)COc3ccc(C#N)cc3)CC2=O)cn1 1463582737 IAQPSDBQSHFDFN-OAHLLOKOSA-N 426.433 -0.020 50 10 IBGE CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1622166602 ZLSWCJHYJUJTKM-AWEZNQCLSA-N 445.973 -0.067 50 10 IBGE Cc1nc(S(=O)(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282334348 AFRCGKVVWBUNTI-SFHVURJKSA-N 436.299 -0.512 50 10 IBGE O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)[C@H]1CCN1C1CCOCC1 1156184706 YSLYAQJVAWPRJQ-QGZVFWFLSA-N 438.506 -0.604 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)[C@H]1c1nccn1C 1463581182 FEAZUDBUIGNDHM-ROUUACIJSA-N 426.433 -0.193 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C[C@@]3(C)CCS(=O)(=O)N3)cc2)CC1 1636680453 IILFDIXLXHQENV-QGZVFWFLSA-N 445.567 -0.462 50 10 IBGE O=C(NNC(=O)c1ccc2c(n1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1638058506 ZWJADLZYILIYMS-UHFFFAOYSA-N 448.457 -0.052 50 10 IBGE CCN1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1687421116 FMXOSECPDKZMEJ-OAHLLOKOSA-N 425.511 -0.254 50 10 IBGE Cn1c(=O)c2cc(C(=O)NNC(=O)[C@H]3OCC[C@H]3c3ccccc3)n(C)c2n(C)c1=O 790328885 WBJPNVIBSOTPQV-BBRMVZONSA-N 425.445 -0.091 50 10 IBGE COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 1190884584 ZOKAUDGTTCDFBS-HNNXBMFYSA-N 440.570 -0.700 50 10 IBGE CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1303882787 FXUARNOTQRTOBG-QGZVFWFLSA-N 440.522 -0.686 50 10 IBGE CN1C(=O)CN(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1=O 1445562902 RNHCQHMGZOXWFR-UHFFFAOYSA-N 436.900 -0.501 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1454278085 PPENIYPDZINJCR-MRVPVSSYSA-N 429.929 -0.253 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CC[C@@H]4CN(C)C[C@H]43)nc2)CC1 1639063311 MMOCFPQRWIZKOQ-DJIMGWMZSA-N 437.570 -0.016 50 10 IBGE COc1cc(Br)cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)c1OC 169893070 WPXCCEOAGNWPQB-YAXRCOADSA-N 427.215 -0.200 50 10 IBGE O=C(CN1CCN(CCCI)CC1)N[C@H]1CCS(=O)(=O)C1 781337027 SPCZDECFJVAEON-LBPRGKRZSA-N 429.324 -0.268 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)[C@H]1c1nccn1C 1440418230 SGQFWIYKTWITJI-PVAVHDDUSA-N 429.433 -0.304 50 10 IBGE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NNC(=S)NCCc1cccs1 1587707067 WUSCOESAWLNFPA-UHFFFAOYSA-N 435.597 -0.380 50 10 IBGE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1646045504 QOYJDNBWVULJRV-SWLSCSKDSA-N 428.486 -0.107 50 10 IBGE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 767224688 OHZUIFTWVGYTOY-OAHLLOKOSA-N 427.483 -0.664 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-n3cccn3)c(F)c2)n(C)c1=O 1319289181 HQLMNSXIRZZHTQ-UHFFFAOYSA-N 440.395 -0.780 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)N1 1470061496 MGAVLGIWQUVAIP-ZBFHGGJFSA-N 435.456 -0.548 50 10 IBGE Cc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)NN)nc2c1c(=O)n(C)c(=O)n2C 606629519 ACCLAGDAZZDDMX-LBPRGKRZSA-N 448.505 -0.736 50 10 IBGE COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765731797 BSHGZJFXIUUSLI-JKSUJKDBSA-N 438.506 -0.742 50 10 IBGE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CN2CCCC2=O)C1=O 1648935056 SZHUVEZVZQTFRF-HXUWFJFHSA-N 431.449 -0.460 50 10 IBGE CO[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCOC1 1682629322 GYCSHRCAZKOZET-ZBFHGGJFSA-N 428.511 -0.003 50 10 IBGE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 749551449 NRCDLDSWVSYAAS-OSLDLMBLSA-N 449.460 -0.110 50 10 IBGE O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCN(S(=O)(=O)CBr)CC1 1152747120 YIZAASOFMHVBMF-KGLIPLIRSA-N 440.360 -0.307 50 10 IBGE NC(=O)c1ccc(/C=C\C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 1587969012 TVMWFVVZYPATSE-CLFYSBASSA-N 425.445 -0.003 50 10 IBGE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NNC(=O)[C@H]2COCCO2)CC1 746000902 BSLOIHOVLXSWGC-LLVKDONJSA-N 432.421 -0.569 50 10 IBGE CS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 1630996712 RCARTVQKICISIZ-UHFFFAOYSA-N 445.501 -0.296 50 10 IBGE O=C(NNC(=O)[C@@H]1CCN1C1CCOCC1)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 1645053944 MNMRNUVDAHNMEC-HOTGVXAUSA-N 432.481 -0.422 50 10 IBGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1 1677881499 KFQTXVGGIPZHES-UHFFFAOYSA-N 426.518 -0.660 50 10 IBGE Cn1nc(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c(B(O)O)c1Cl 2281659114 WIGHKDMXOLMRGL-ZDUSSCGKSA-N 436.661 -0.479 50 10 IBGE Cn1ccnc(N2CCN(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)CC2)c1=O 793217748 PDVOCZDQKGSUHM-UHFFFAOYSA-N 443.464 -0.431 50 10 IBGE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cc(B(O)O)ccc2F)CC1 1465055408 XVXHHJAWDSGYRE-UHFFFAOYSA-N 435.286 -0.628 50 10 IBGE C[C@H](O)CN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1468764598 GRNBQDQQXUTZIE-AWEZNQCLSA-N 430.502 -0.217 50 10 IBGE O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1542285579 RUPILQKWAUGKFJ-LLVKDONJSA-N 433.284 -0.304 50 10 IBGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 1627321550 DINSSJDCAOVYSS-CQSZACIVSA-N 447.558 -0.642 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)CN1CCCC1=O 1643800496 WJHSPKVQGVPECL-UHFFFAOYSA-N 439.313 -0.441 50 10 IBGE O=C(CN(CC(=O)NNC(=O)C(F)(F)F)Cc1ccccc1)NNC(=O)C(F)(F)F 1923831342 SCYAVVJFVAIZDR-UHFFFAOYSA-N 443.304 -0.092 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2ccc(B(O)O)cc2)C1 2282082605 KLMTYRRVOXKSHQ-QGZVFWFLSA-N 434.279 -0.318 50 10 IBGE COc1ccc2c(c1)C=C(C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CO2 765723976 GQLCYARWQOTZHJ-UHFFFAOYSA-N 440.416 -0.934 50 10 IBGE O=C(CS(=O)(=O)CC(=O)N1CC[C@@H](B(O)O)C1)Nc1cccc(Br)c1 864234112 MYMHWXNYEOCRDV-SNVBAGLBSA-N 433.089 -0.122 50 10 IBGE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(=O)n(C)c2)C1=O 1134417264 MNHLCSYEQMHDAW-NRFANRHFSA-N 441.444 -0.069 50 10 IBGE O=C(CCN1C(=O)CCNC1=S)N1CCN(S(=O)(=O)CBr)CC1 1597885140 DCFDHQYGXNARRT-UHFFFAOYSA-N 427.346 -0.690 50 10 IBGE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NNC(=O)[C@H]1C[C@H]3CC[C@H]1O3)CCS2(=O)=O 1685668867 GUEDAJRFBLUIAG-UXSNTCKVSA-N 429.495 -0.217 50 10 IBGE COC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(OC)c1 757173924 YBHFNQNZBYLARP-QWHCGFSZSA-N 425.463 -0.040 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)NCCS(=O)(=O)N=S(C)(C)=O 1479357522 OBLUYHYHVQNIKZ-UHFFFAOYSA-N 444.333 -0.211 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2cccc(B(O)O)c2C1 2149929252 SLCZFRWQYAUBHI-UHFFFAOYSA-N 428.275 -0.259 50 10 IBGE O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 790325004 GHMSAPRKHWATRO-BJLQDIEVSA-N 430.505 -0.113 50 10 IBGE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816882798 MOYCDSBBKVEFHG-QFYYESIMSA-N 428.371 -0.380 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)cn1 1135312322 HMHBIICGLNRVBY-DYVFJYSZSA-N 429.433 -0.130 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H](C)N1CCN(C)CC1 1313427403 HTSDWNADNSBWSI-CYBMUJFWSA-N 425.559 -0.132 50 10 IBGE O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)[C@H]1Cc2ccccc2O1 732244068 AMHKCHQXCPZORN-GDBMZVCRSA-N 426.495 -0.191 50 10 IBGE C[C@@H](NC(=S)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 1144119408 FBRITBVSRWLXIK-PWSUYJOCSA-N 425.536 -0.019 50 10 IBGE Cn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c(=O)c2cnn(C)c21 1546249301 FAOJTJBHDCEIFF-UHFFFAOYSA-N 432.300 -0.288 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1sccc1B(O)O)OCc1ccccc1 2267201690 RQCSCUGTAQCDKH-GJZGRUSLSA-N 440.308 -0.210 50 10 IBGE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 816824913 OJFYAMHKAVDXNG-DIFFPNOSSA-N 435.474 -0.456 50 10 IBGE CO[C@]1(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CCS(=O)(=O)C1 1556101906 IZBGNEQVFOEGMA-QGZVFWFLSA-N 434.515 -0.174 50 10 IBGE COc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 746003619 QMNWOOLSXPDERM-OAHLLOKOSA-N 428.467 -0.842 50 10 IBGE O=C(N[C@@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOC1)OCc1ccccc1 779756744 UHOOFSCLCPBIAY-KDOFPFPSSA-N 425.463 -0.346 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CC2)cc1 1137300039 BVCZKHIOUGXJKN-FQEVSTJZSA-N 437.566 -0.268 50 10 IBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cc(Br)cn2)nn1 1587512129 BNHBFOMJHBIBNP-QMMMGPOBSA-N 429.256 -0.380 50 10 IBGE O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)[C@H]1COCCO1 789309300 IXFZLRCFIFQADS-NVXWUHKLSA-N 438.456 -0.411 50 10 IBGE CN(C)S(=O)(=O)NCCNC(=O)NNC(=O)COc1ccccc1Br 1312736562 BVPFLKZYIIXCSC-UHFFFAOYSA-N 438.304 -0.446 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1479497463 CDCVAAWIKHMAOY-QWHCGFSZSA-N 443.501 -0.412 50 10 IBGE Nc1ncnc2c1ncn2CCC(=O)N1CCN(S(=O)(=O)CBr)CC1 1631771345 CYGRDJPZLCHMDN-UHFFFAOYSA-N 432.304 -0.375 50 10 IBGE C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673443009 OHJCLMKEVVHAMN-RISCZKNCSA-N 440.478 -0.414 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2282503726 FBPXOCPRPGWNET-HNNXBMFYSA-N 436.299 -0.573 50 10 IBGE O=C(COc1ccccc1CNC(=O)NNC(=O)[C@@H]1COCCO1)NC[C@H]1CCCO1 745645591 BJYCDLOLACOSPJ-WBVHZDCISA-N 436.465 -0.394 50 10 IBGE O=C(NNC(=S)NCCc1cccs1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1290439760 QZUALHYXXPTHJH-RYUDHWBXSA-N 430.577 -0.179 50 10 IBGE CO[C@H]1COCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1470249264 HPXIMYAPIGPBMM-HOCLYGCPSA-N 442.542 -0.305 50 10 IBGE O=C(Cc1ccccc1S(=O)(=O)C(F)F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1597425803 IIUKIJANLXUTHX-JTQLQIEISA-N 425.435 -0.257 50 10 IBGE CON(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1636282817 JTXCQYFWFDMBAO-UHFFFAOYSA-N 427.483 -0.175 50 10 IBGE Cn1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 773410331 AMJSVBZZIHMQAJ-MMQHEFTJSA-N 435.481 -0.108 50 10 IBGE O=C(NCCS(=O)(=O)CC(F)(F)F)NNC(=O)c1csc(N2CCOCC2)n1 1674219531 UZIOPLIGBUTSQI-UHFFFAOYSA-N 445.445 -0.099 50 10 IBGE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B(O)O 2267393017 RRPXUGITDPYFPL-UHFFFAOYSA-N 439.324 -0.147 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)[C@@H]1COCCO1 744642757 CZIBDRJEJHLTHR-ZETCQYMHSA-N 428.286 -0.648 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282368339 OTFORSHRXIFRMP-SECBINFHSA-N 440.736 -0.005 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3cncc3C)CC2)cc1 1149621852 DOINONMQJLFPDT-UHFFFAOYSA-N 434.522 -0.346 50 10 IBGE O=C(NNC(=O)C1CCN(c2ncccn2)CC1)N[C@@H]1CCN(C2CCOCC2)C1=O 1687213891 HXBLCFXRUGUQBH-MRXNPFEDSA-N 431.497 -0.197 50 10 IBGE COc1ccc([C@H](CNC(=O)NNC(=O)[C@H]2COCCO2)N2CCOCC2)cc1OC 745289926 BXIVCXUKGNZNGN-MAUKXSAKSA-N 438.481 -0.177 50 10 IBGE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C1=O 1156183964 JOBFWMAHXNRCLF-HZPDHXFCSA-N 438.525 -0.033 50 10 IBGE CN1CCn2ncc(C(=O)NNC(=O)c3cc(Br)cn3C)c2S1(=O)=O 1587535599 QUTVFCWVUNEKPP-UHFFFAOYSA-N 431.272 -0.307 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC2=O)cn1 1131019657 KEFPTWPPCBMWHW-CQSZACIVSA-N 436.513 -0.028 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccnn1C 1352669866 NCJPXLFLFJOROH-MSOLQXFVSA-N 429.433 -0.059 50 10 IBGE CC(=O)Nc1nnc(S(=O)(=O)NNC(=O)CNC(=O)c2ccccc2Cl)s1 1857965588 WZQGLOVNJSZGNF-UHFFFAOYSA-N 432.871 -0.111 50 10 IBGE COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2c1O[C@H](C)C2 765721600 DWWOKGDRGYSUNN-SNVBAGLBSA-N 442.432 -0.773 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(OC(F)F)cc2)n(C)c1=O 765721712 GJYPRYQSISDMFI-UHFFFAOYSA-N 436.375 -0.575 50 10 IBGE CCOCCCN1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 764812224 HMPOIUSQHNGSEE-CQSZACIVSA-N 433.513 -0.326 50 10 IBGE Cc1nccn1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1540482018 NHPRJLFTHBZHHM-UHFFFAOYSA-N 435.506 -0.007 50 10 IBGE CN(C)C(=O)/C=C/C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1618795946 QKBWKYYPPIFDSX-MDZDMXLPSA-N 438.506 -0.568 50 10 IBGE Cc1csc(CC(=O)NNC(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)n1 1659796638 HYUBAQBMNZXWAZ-AWEZNQCLSA-N 429.568 -0.664 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)NCCN2CCOCC2)cc1 1857990853 AZKKEIIVUZZCNH-UHFFFAOYSA-N 427.527 -0.007 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)[C@H]1c1nccn1C 1125001947 QXIXXMPCNIRQEK-HOTGVXAUSA-N 449.489 -0.427 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1454278086 PPENIYPDZINJCR-QMMMGPOBSA-N 429.929 -0.253 50 10 IBGE O=C(c1ccc(B(O)O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1463943288 VHUHNZXXWNOGLZ-UHFFFAOYSA-N 432.263 -0.716 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1633925615 NOWRWKZWNDKMBR-VXGBXAGGSA-N 432.499 -0.348 50 10 IBGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 726276902 DEMCZOBALMFWRP-MRXNPFEDSA-N 439.538 -0.023 50 10 IBGE Cc1ccc(C(=O)CCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766155106 WHUAKWMMTJLNLE-UHFFFAOYSA-N 440.460 -0.057 50 10 IBGE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1=O 1131722728 HUACDSKXKHYRPN-APPDUMDISA-N 425.804 -0.328 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1545433087 YWWZGHUXSIZTAT-ZHALLVOQSA-N 438.912 -0.982 50 10 IBGE C[C@H](CO)N(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1557202813 PKGJCWPZDOVKKV-CQSZACIVSA-N 439.538 -0.129 50 10 IBGE O=C(NCCN1CCOCC1)NNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1857990832 AKRZIVFCZOSSPV-UHFFFAOYSA-N 425.467 -0.835 50 10 IBGE COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 804892085 NCPUPSYVAUXOFV-CYBMUJFWSA-N 429.499 -0.081 50 10 IBGE CCN1CCN(c2ccc(CNC(=O)NNC(=O)[C@H]3CCc4nncn4C3)cn2)CC1 814278724 RKYGLAYJBMYKJZ-INIZCTEOSA-N 427.513 -0.092 50 10 IBGE CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CC1=O 1159504126 GCUZFNKIXFXWJY-HBUWYVDXSA-N 441.488 -0.082 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)COc2ccccc2OC)[C@H]1c1ccnn1C 1540375279 IPYRFBJIXXRUIW-MOPGFXCFSA-N 431.449 -0.057 50 10 IBGE COc1ccc(NC(=S)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cn1 1558202426 WBTNSSFNOSOSGQ-UHFFFAOYSA-N 427.512 -0.182 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@H](O)C1 2267618985 LGZUSZKWBIXPLS-DTWKUNHWSA-N 426.709 -0.660 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 750661041 ADZPMSQLKDDUTK-FMKPAKJESA-N 437.522 -0.045 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 755456467 WQGWJHOBGYTAKF-GOSISDBHSA-N 435.481 -0.072 50 10 IBGE CCc1cccc2c(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12 765730889 PKGFHVUYIJXJQM-UHFFFAOYSA-N 437.460 -0.133 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(N)ccn3)CC2)cc1 1635500225 FHMAUDWOJOJOIV-UHFFFAOYSA-N 432.506 -0.260 50 10 IBGE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1=O 1642898131 VHLGZGKBKKAVJB-ZDUSSCGKSA-N 425.486 -0.481 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1B(O)O)OCc1ccccc1 2282714152 NTBKFXMFDGSEHO-IAGOWNOFSA-N 434.279 -0.271 50 10 IBGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 726276572 BFOVNOVZMKEZLY-MRXNPFEDSA-N 429.485 -0.451 50 10 IBGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765126410 QSYLIAHFIUJLMC-UHFFFAOYSA-N 426.480 -0.933 50 10 IBGE O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 814281650 UJGUAQKJHAYYNB-GOSISDBHSA-N 426.525 -0.011 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)c2)CC1 1461152202 XLDKGYKKISKEOL-GUYCJALGSA-N 438.506 -0.275 50 10 IBGE O=C(NNc1cc(Br)ncn1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1644900117 ZQDBIQFBIYOVTB-QMMMGPOBSA-N 431.272 -0.152 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOC3CCOCC3)nc2)CC1 1687696560 WKDCYCSNHSIWSY-UHFFFAOYSA-N 442.542 -0.161 50 10 IBGE Cn1cc(B(O)O)cc1C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2247764882 VACQFFCYLBATAA-UHFFFAOYSA-N 440.306 -0.147 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2ccc(B(O)O)cc2)C1 2282082602 KLMTYRRVOXKSHQ-KRWDZBQOSA-N 434.279 -0.318 50 10 IBGE O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)CCN1 748277769 WBSXAOSYSZAOKI-KRWDZBQOSA-N 444.469 -0.428 50 10 IBGE O=C(NNC(=O)[C@@H]1CCN1C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 1471977961 ZNUCJCHDZXZQOK-AWEZNQCLSA-N 442.494 -0.685 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)[C@@H]3CCN3C3CCOCC3)CC2=O)cn1 1638870855 KCQYVMHPTLBJLX-PBHICJAKSA-N 434.497 -0.717 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 794069551 IXACEKQXXYRGNL-LBTBCDHLSA-N 426.429 -0.133 50 10 IBGE Cc1cnc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cn1 1470433222 IPSJGKVXJBHPDS-UHFFFAOYSA-N 434.526 -0.015 50 10 IBGE COCC#CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1648407274 OUSZWPHJABIRNF-OAHLLOKOSA-N 439.490 -0.250 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282371418 JGJKBFXJFJBZBM-SCZZXKLOSA-N 440.736 -0.101 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2282714326 QJZXEKAFJDFFHM-DBQDNQAGSA-N 434.283 -0.774 50 10 IBGE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1456039825 UVISPTNBWBPLAO-KBPBESRZSA-N 428.486 -0.157 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCC(=O)O1 1521833363 WAMMDZXPOBGOQX-OAHLLOKOSA-N 425.463 -0.507 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1641246976 NIYSCADNLLANHM-CPCISQLKSA-N 434.268 -0.384 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(B(O)O)cc1)OCc1ccccc1 2282079062 QWJOYQHUISXTHH-ZWKOTPCHSA-N 434.279 -0.271 50 10 IBGE O=C(NNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1COCCO1 746003287 OVOZUJSOQNYKEQ-ZFWWWQNUSA-N 430.458 -0.275 50 10 IBGE C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C[C@@H](C)O1 1472475896 MUOYCKKZFGONJC-RBSFLKMASA-N 441.529 -0.289 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1630996758 SNMAAWFPQCSLNU-FQEVSTJZSA-N 449.533 -0.231 50 10 IBGE COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)N(C)C)cc1Br 1635483826 AWWCOYRRIWERNI-UHFFFAOYSA-N 438.304 -0.202 50 10 IBGE CC(C)C(=O)NNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1641637650 UOBPFMPFVDWJRC-UHFFFAOYSA-N 440.522 -0.042 50 10 IBGE Cn1cc(B(O)O)c(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)n1 2247870792 PZXITTPCYSYVSU-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE CN(C)N(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1298901411 VEHADCLVCZXGRP-OLZOCXBDSA-N 441.572 -0.193 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 1463575702 YWUORBUXRYORHF-RBUKOAKNSA-N 439.520 -0.224 50 10 IBGE CN1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1=O 739052956 ZTINQTPILWFXLI-CQSZACIVSA-N 439.494 -0.728 50 10 IBGE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)[C@@H]3COCCO3)c2)CC1 756358926 MTEYSEQTQOQZIA-INIZCTEOSA-N 441.510 -0.419 50 10 IBGE CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1cc(Br)cn1C 811678562 CAUIMXATUSUAAJ-UHFFFAOYSA-N 431.334 -0.367 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 816879247 KUSYBTZQIWBJPB-AWEZNQCLSA-N 434.478 -0.677 50 10 IBGE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCO1 1641521676 RBXNODQVPXVPIU-GOEBONIOSA-N 441.506 -0.055 50 10 IBGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc1S(=O)(=O)N1CCCCC1 745978549 MCZBGLQXODGIPS-OAHLLOKOSA-N 447.535 -0.105 50 10 IBGE CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1135469956 GMYIUSBCBQFMEM-SFHVURJKSA-N 425.555 -0.080 50 10 IBGE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=S)NCC2CCC2)c1 1163901153 HRZKCIMGPVBTPM-UHFFFAOYSA-N 434.565 -0.336 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2cscc2B(O)O)C1 2267387187 FYLPZDAKPOPVKT-AWEZNQCLSA-N 440.308 -0.256 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1cccc(B(O)O)c1)OCc1ccccc1 2282723208 OMVAIAWONZNENM-ROUUACIJSA-N 434.279 -0.271 50 10 IBGE Cc1nn(C)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Br 790294210 FUSPHCUTVFTSMB-UHFFFAOYSA-N 437.258 -0.612 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CN3CC[C@H](C)C3)CC2)cc1 1149621557 CCJVAFNBPPPQFZ-KRWDZBQOSA-N 437.566 -0.209 50 10 IBGE CNC(=S)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1637379666 GKTSAMCSNFNKQI-UHFFFAOYSA-N 445.542 -0.094 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1cscc1B(O)O)OCc1ccccc1 2267624115 SWEKRTWTFKKVCQ-HUUCEWRRSA-N 440.308 -0.210 50 10 IBGE O=C(NNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)[C@H]1COCCO1 754215121 MFXKYLHJMUXVAE-DOTOQJQBSA-N 438.506 -0.001 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(I)cc2-n2cnnn2)N1 1543096926 XCKXHJLRXOCYHQ-VIFPVBQESA-N 441.189 -0.694 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)C(C#N)=Cc1cccc(Br)c1 2324521736 QKPFAWNNLAVRKK-YHUYYLMFSA-N 429.267 -0.750 50 10 IBGE CCN(CCO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1143303719 XEXBNBHBEZPDBK-UHFFFAOYSA-N 442.538 -0.346 50 10 IBGE CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1 1636285363 HYPMCVPWQMRFOH-UHFFFAOYSA-N 428.496 -0.476 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H]1COCCO1 746002546 KSMJXJDZKAEJSA-SNVBAGLBSA-N 438.915 -0.136 50 10 IBGE CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(Br)c1 802721724 BODOLMBHVZCKQO-JTQLQIEISA-N 443.297 -0.423 50 10 IBGE Cc1ccc(-c2cc(C(=O)NNC(=O)NC[C@]34COCCN3C(=O)COC4)n[nH]2)cc1 1235028192 NHTKFRRONUUXGQ-HXUWFJFHSA-N 428.449 -0.043 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc3c(F)ccc(F)c3c2)n(C)c1=O 815826898 FDCWCLTZVGZVDC-UHFFFAOYSA-N 443.370 -0.279 50 10 IBGE CC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(Br)c1 1558927604 CXXPDIYSVBCJCM-PELKAZGASA-N 435.300 -0.289 50 10 IBGE CN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(Br)cc1 1587113987 JOBNWHRBYZEDAZ-LLVKDONJSA-N 433.284 -0.504 50 10 IBGE Cc1cc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc1Cl 788749970 DTYHXPWQNHTXBB-UHFFFAOYSA-N 446.898 -0.533 50 10 IBGE O=C(NNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@H]1CCN1C1CCOCC1 1652303528 APULQWSUWNODLB-QGZVFWFLSA-N 432.477 -0.229 50 10 IBGE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)c1 745998239 IIGGPCWFKPFSAS-HNNXBMFYSA-N 426.495 -0.234 50 10 IBGE C[C@]1(NNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCS(=O)(=O)C1 776054402 HGTXLCNWMQGIKO-QKLQHJQFSA-N 435.550 -0.034 50 10 IBGE O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 790324825 ZSTVXUOHKQELDP-OVWQWFNUSA-N 435.502 -0.258 50 10 IBGE COCCOCC(=O)NC1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 1584300521 GYVISMPKEYHXAR-UHFFFAOYSA-N 440.522 -0.037 50 10 IBGE CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H]([S@@](C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 1776009706 XSLGFIQRVCXUEU-RMFJLWPCSA-N 440.990 -0.595 50 10 IBGE CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H]([S@](C)=O)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1 77285977 XSLGFIQRVCXUEU-JBFIYPEGSA-N 440.990 -0.595 50 10 IBGE in-vitro Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 750661044 ADZPMSQLKDDUTK-LZWOXQAQSA-N 437.522 -0.045 50 10 IBGE CN1CCOC[C@H]1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1254223004 PPGGNQBOBWFICW-OAHLLOKOSA-N 425.511 -0.254 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1CCNC1=O 1524056828 RVULDXVSZSYHAN-HNNXBMFYSA-N 438.506 -0.686 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2282073186 COQHXCHWCPDCIX-TXKKKEFDSA-N 434.283 -0.774 50 10 IBGE O=C(COCc1ccccc1)NNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 738496741 WNSZTJMNLBNUEK-UHFFFAOYSA-N 441.510 -0.861 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1COCCO1 746003217 OOIZTOWJVPCBGC-KRWDZBQOSA-N 438.506 -0.362 50 10 IBGE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)CCCc1cccs1)C2 786119904 CKQKUMMUKZWWTQ-UHFFFAOYSA-N 435.510 -0.226 50 10 IBGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 1540830745 PBSLVKURPRQCOV-UHFFFAOYSA-N 429.451 -0.031 50 10 IBGE CCN(CC)S(=O)(=O)N1CCN(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 748342874 YHEJCKCDAGGMQY-MRXNPFEDSA-N 425.511 -0.065 50 10 IBGE CN(C)N(C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1625795413 PZNCJJFFFFASRS-LSDHHAIUSA-N 428.486 -0.779 50 10 IBGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2 39919031 AXRVHWQNVYEYDR-QHCPKHFHSA-N 448.483 -0.077 50 10 IBGE COC(=O)CCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 731040649 KKSPTFZZGWMCMI-UHFFFAOYSA-N 433.508 -0.012 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CNC(=O)c3cccnc3)cc2)CC1 767961581 JTDORBUIOOZNOF-UHFFFAOYSA-N 432.506 -0.109 50 10 IBGE O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 816884839 KHFGXCCUBPCXIG-OAHLLOKOSA-N 426.481 -0.488 50 10 IBGE C=CC(=O)N(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1618796083 SKZDUGGXGLAJTI-UHFFFAOYSA-N 438.506 -0.568 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)n1 2282732964 NZKJVUBZLBSANA-UHFFFAOYSA-N 436.299 -0.573 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1ccc(B(O)O)cc1 1465797007 RRJOGJLUUBMTAG-UHFFFAOYSA-N 430.701 -0.401 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)N2CCCC2)CC1 1638390453 ZTWXRQYWRSCROE-UHFFFAOYSA-N 425.515 -0.734 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2ccccc2B(O)O)C1 2282718552 ZITNTXIKAIKHHX-MRXNPFEDSA-N 434.279 -0.318 50 10 IBGE C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)c1ccccc1 765728894 AEMLQJRQCQVZEV-LBPRGKRZSA-N 426.433 -0.510 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(CS(C)(=O)=O)COC2)c1 1135229605 ZCOFFPPHGIJACP-UHFFFAOYSA-N 447.535 -0.461 50 10 IBGE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CC1=O 1159504127 GCUZFNKIXFXWJY-IYOUNJFTSA-N 441.488 -0.082 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1OC 1643364443 MWECTMLTTDNCEL-CJNGLKHVSA-N 427.479 -0.647 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1cccc(B(O)O)c1)OCc1ccccc1 2282723206 OMVAIAWONZNENM-MSOLQXFVSA-N 434.279 -0.271 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)[C@H]2COCCO2)c1 744645833 AHYKRRJFJPECER-MRXNPFEDSA-N 426.495 -0.287 50 10 IBGE COCC[C@@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 812573557 PVGZQUFHEVAPIV-HNNXBMFYSA-N 444.510 -0.297 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1479497465 CDCVAAWIKHMAOY-STQMWFEESA-N 443.501 -0.412 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2cc(B(O)O)ccc2C1 2149924784 WWHPRNQGXVLVOQ-UHFFFAOYSA-N 428.275 -0.259 50 10 IBGE Cn1cc(/C=C/C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c(=O)n(C)c1=O 744621502 ZLVYKFLJJFALIL-BQYQJAHWSA-N 449.489 -0.739 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 745832869 TUMXWGIJBROTTL-MRXNPFEDSA-N 426.495 -0.273 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc3c(c2)CCCC3)n(C)c1=O 765121365 AAIYRYLLLOPNOG-UHFFFAOYSA-N 446.489 -0.678 50 10 IBGE CCOc1ccccc1[C@@](N)(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F 787996358 XRULFITVTXVOAM-YMTOWFKASA-N 426.417 -0.113 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccc(=O)n(C)c2)c1 1134634230 AITBSTWSJLCTFB-UHFFFAOYSA-N 437.478 -0.961 50 10 IBGE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ncc(Br)cc2B(O)O)C1 2231667235 CDYYYCWRACRQMC-UHFFFAOYSA-N 429.080 -0.565 50 10 IBGE Cn1nc2c(c1C(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CS(=O)(=O)CC2 1156088839 XXUACKIUJYYQPW-GFCCVEGCSA-N 427.483 -0.339 50 10 IBGE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267387132 DYYBXKFRBMJUNJ-UHFFFAOYSA-N 426.709 -0.659 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267627199 UWBKJOKUVGKOGR-RKDXNWHRSA-N 426.709 -0.348 50 10 IBGE Cc1cc(S(=O)(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)sc1B(O)O 2282728189 PNNMDIOOJQETAF-UHFFFAOYSA-N 434.330 -0.165 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 814331042 WQXQAYACOVGKOP-LSDHHAIUSA-N 427.465 -0.149 50 10 IBGE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1157588250 HXEJDZHAKQDWSG-HUUCEWRRSA-N 439.513 -0.092 50 10 IBGE O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1596923767 TXXOYZQUQZLDFS-QZTJIDSGSA-N 437.541 -0.900 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)ccc1=O 1598520677 GLYRXTQZDUEHMX-UHFFFAOYSA-N 440.503 -0.333 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cc(B(O)O)cs1 2108233551 HPFPHRMBSKRIIS-QGZVFWFLSA-N 440.283 -0.128 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1sccc1B(O)O)OCc1ccccc1 2267201692 RQCSCUGTAQCDKH-LSDHHAIUSA-N 440.308 -0.210 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 741709682 NTQNESJBHPBIDP-NEPJUHHUSA-N 431.417 -0.159 50 10 IBGE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1300386348 BCVNEPVZIHZSII-KWCYVHTRSA-N 425.463 -0.159 50 10 IBGE C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 790892231 WTYSQWDPFVYOSC-QFIPXVFZSA-N 441.488 -0.795 50 10 IBGE Cc1ccc(C(=O)NNC(=O)c2ccc(=O)n(C)c2)cc1S(=O)(=O)N1CCOCC1 1134417035 HSXZGUGPNAEPAN-UHFFFAOYSA-N 434.474 -0.211 50 10 IBGE CCN1CCC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1=O 1685334271 BHMPACSQAIFXKP-HNNXBMFYSA-N 425.511 -0.043 50 10 IBGE COCCOc1ccc(/C=C(\C#N)C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 1866385738 HHUXEHWPJBDAHM-POQGVHCZSA-N 438.458 -0.310 50 10 IBGE Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CC2)cn1 741275594 LDBNCNQQKVHQAV-KRWDZBQOSA-N 448.505 -0.093 50 10 IBGE O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1COCCO1 790394777 SQZCDBPDAHGKMH-INIZCTEOSA-N 447.535 -0.024 50 10 IBGE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1=O 1131722730 HUACDSKXKHYRPN-GTNSWQLSSA-N 425.804 -0.328 50 10 IBGE CS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)C1 1586843963 UZRKQVPLYQQWMS-AWEZNQCLSA-N 446.551 -0.178 50 10 IBGE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2F)c1 1623974956 MZJKIYYMLYKOQB-UHFFFAOYSA-N 429.451 -0.031 50 10 IBGE O=C(CO)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 1628233494 BSOPKVXKGHKXKG-UHFFFAOYSA-N 432.502 -0.054 50 10 IBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc(I)c(O)c1 1440706069 TZKIKEAMGVMZEW-ZCFIWIBFSA-N 425.204 -0.413 50 10 IBGE CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1135410235 URFQJTPQKUNRKA-UHFFFAOYSA-N 446.551 -0.096 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NNC(=O)[C@H]3CCCO3)CS(=O)(=O)[C@H]2C1 1159971579 GWNJDNMSKUOYKJ-SYQHCUMBSA-N 431.511 -0.017 50 10 IBGE C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1611085818 HBICCSRMKCMELW-UKRRQHHQSA-N 440.522 -0.041 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@H]3CCC(=O)N3)CC2)cc1 1635500416 IESYLISFTRLRNM-OAHLLOKOSA-N 437.522 -0.883 50 10 IBGE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)CN1CCCC1=O 1635877689 GZABPEOLXGTFBZ-KGLIPLIRSA-N 425.530 -0.018 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)n(C)c1=O 765721685 FHYHJCUSASPKBR-UWVGGRQHSA-N 430.387 -0.050 50 10 IBGE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 778554308 NMJSGBRTAHHTBB-GJZGRUSLSA-N 427.479 -0.100 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2nccn2S(=O)(=O)N(C)C)cc1 814730268 MWGXBOWYQKKGPC-UHFFFAOYSA-N 442.523 -0.383 50 10 IBGE O=C(NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1COCCO1 915188051 LSNIWTNVJBOYDK-CQSZACIVSA-N 430.508 -0.560 50 10 IBGE CCO[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCOC1 1472475363 WRTJDBNIGUEHPL-WBVHZDCISA-N 441.506 -0.090 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 1654295114 VUSUEXUXRHROCT-OIBJUYFYSA-N 433.284 -0.040 50 10 IBGE CSC[C@H](C(=O)NNC(=O)[C@@H]1CCc2nncn2C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 816884762 IKQNYFUKRFFUIU-AAVRWANBSA-N 434.522 -0.105 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1540329106 XYWLFAOEIPIDMC-UHFFFAOYSA-N 446.551 -0.096 50 10 IBGE Cc1nnc(CN(C)CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1C 746092270 IBDAYJCEJJXBOI-UHFFFAOYSA-N 428.541 -0.085 50 10 IBGE O=C(C[C@@H]1CCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558899231 WCFNNTCEUIVFDP-AWEZNQCLSA-N 445.519 -0.564 50 10 IBGE O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCN(S(=O)(=O)CBr)CC1 1566975735 XMWNBBKEXRCVTI-UHFFFAOYSA-N 444.373 -0.229 50 10 IBGE Cc1cc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)cc1F 765122385 FZHSDTTTZDIMPJ-UHFFFAOYSA-N 442.404 -0.970 50 10 IBGE COCc1nn(C)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1306201086 XOIWGMWGMUBCKM-UHFFFAOYSA-N 437.478 -0.338 50 10 IBGE C[C@@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCNC1=O 1540482064 OSLWJQAXZPFSMZ-LJQANCHMSA-N 438.506 -0.686 50 10 IBGE CC[C@H](O)[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1545424261 SWNWFUKCCZDDFA-RDJZCZTQSA-N 426.539 -0.144 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3cnccn3)CC2)cc1 766636584 QUYMZOFVAWSSPD-QPJJXVBHSA-N 444.517 -0.048 50 10 IBGE CC(=O)NCCNC(=O)CCC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1137300172 IFOBJBCJJZCYDT-UHFFFAOYSA-N 446.552 -0.707 50 10 IBGE C[S@@](=O)C1(C(=O)NNC(=O)CN2CCCC2=O)CCN(C(=O)OC(C)(C)C)CC1 1587516492 VSJRUKNVCIYDNM-GDLZYMKVSA-N 430.527 -0.096 50 10 IBGE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1632904932 RTFCYIXXJDYSPC-GFCCVEGCSA-N 446.389 -0.081 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)C1 2168109834 VZYBVWPTJRLZRW-YVECIDJPSA-N 425.935 -0.533 50 10 IBGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B(O)O 2267628257 JXHGLEUTAWKZMZ-AWEZNQCLSA-N 439.324 -0.004 50 10 IBGE COC(=O)CCS(=O)(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 811690151 VWPVWXUHTXHDEA-UHFFFAOYSA-N 432.930 -0.029 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCCN2CCOCC2)c1 916504787 ANBKNWXNVGOEMJ-UHFFFAOYSA-N 427.527 -0.007 50 10 IBGE CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@]3(C)C[C@H]3Br)CC2)CC1 1313064719 VKQSESSGBZIRPY-UKRRQHHQSA-N 438.392 -0.021 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1557664074 LGWKXXSLWACJEB-KGLIPLIRSA-N 428.536 -0.179 50 10 IBGE CS(=O)(=O)SCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1558071533 KBRSCSOTCVRROW-UPJWGTAASA-N 426.582 -0.095 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2187578324 OSFJXXBXLHQYQB-UMSGYPCISA-N 425.935 -0.533 50 10 IBGE COC(=O)CCNC(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1313129837 XYASQJGVRVJACS-UHFFFAOYSA-N 448.524 -0.402 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 1463575707 YWUORBUXRYORHF-RTBURBONSA-N 439.520 -0.224 50 10 IBGE C[C@H](CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C)CC1 1685806363 SNBHLTSCVQGANO-CQSZACIVSA-N 426.543 -0.483 50 10 IBGE Cc1ncsc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 729508547 GMRVGIWQUCZUBK-VXGBXAGGSA-N 446.555 -0.222 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2ccc(Cl)cc2)n(C)c1=O 765721432 AXLGFARILWFNAF-UHFFFAOYSA-N 434.840 -0.296 50 10 IBGE O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(Cl)n3)c2)CCN1 1166789906 ODBHMLWZXXIHRZ-UHFFFAOYSA-N 437.865 -0.070 50 10 IBGE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)[C@H]1CCc2nncn2C1 814304829 SIYRHYGBIQDLKB-CVEARBPZSA-N 427.513 -0.223 50 10 IBGE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCC1 1319078211 VTVUHCRKMYUBGV-CYBMUJFWSA-N 425.511 -0.338 50 10 IBGE Cc1cc(C)n(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(=O)n1 1636677509 TVYPNPVZDSFANG-UHFFFAOYSA-N 434.522 -0.060 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cc1S(=O)(=O)N1CCOCC1 1461151490 UHUOUYJVSGOSIE-GXTWGEPZSA-N 427.479 -0.098 50 10 IBGE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1646043857 FXHJOEZBVHMUGH-CXAGYDPISA-N 440.522 -0.640 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B(O)O 2247766806 RSSYWRHZYYJCGZ-UHFFFAOYSA-N 439.278 -0.696 50 10 IBGE Cn1nnc(B(O)O)c1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2247873447 BNDDAHOPDALEPR-UHFFFAOYSA-N 431.258 -0.312 50 10 IBGE CN1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)N(C(=O)OC(C)(C)C)CC1=O 1143106614 OBMLNZDXULVXMX-LLVKDONJSA-N 439.494 -0.297 50 10 IBGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1628913165 YDCUUSCLUBQCDZ-CHWSQXEVSA-N 431.511 -0.015 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(B(O)O)s1 2046026749 UWAMTRZJILICAO-OAHLLOKOSA-N 427.244 -0.411 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2cccc(B(O)O)c2)C1 2282101051 BTANPJBGIZSTFZ-KRWDZBQOSA-N 434.279 -0.318 50 10 IBGE C[C@]1(NNC(=O)NCCNC(=O)c2ccc(Br)cn2)CCS(=O)(=O)C1 1230869591 WUVMUZGYVIFZAD-AWEZNQCLSA-N 434.316 -0.045 50 10 IBGE COCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 1306200653 REMKPPBEMMQYLX-UHFFFAOYSA-N 437.478 -0.375 50 10 IBGE CN(C)N(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 792847984 BWLZXRIIVUNIPS-RDTXWAMCSA-N 434.518 -0.046 50 10 IBGE Cc1c(C(=O)NNC(=O)CN2CCCC2=O)cc(Br)cc1S(N)(=O)=O 1171828147 FZACQKZDENLFDW-UHFFFAOYSA-N 433.284 -0.212 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn(C[C@H]2CCOC2)nn1 1566278959 XQAMZAUAZPUZBH-MRXNPFEDSA-N 441.492 -0.466 50 10 IBGE Cc1ccc(Cl)c(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765646454 DWYGQJZNTNKRFO-UHFFFAOYSA-N 440.869 -0.595 50 10 IBGE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 765805587 XVPBAIIBWHGRKK-MRXNPFEDSA-N 442.494 -0.452 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1149629410 KSCSNRBSQPWTNV-UHFFFAOYSA-N 425.555 -0.458 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)CC1 1558458638 KEHJXPOPZMQIID-MRXNPFEDSA-N 425.530 -0.060 50 10 IBGE CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1627322711 VGGQJRBLDWMZNJ-CQSZACIVSA-N 447.558 -0.043 50 10 IBGE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c1 745978025 AZGJQCHJPBHNCJ-SNVBAGLBSA-N 443.297 -0.423 50 10 IBGE CC(C)c1cccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765127150 UXYAFAZFVUWKLY-UHFFFAOYSA-N 434.478 -0.433 50 10 IBGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC2)c1 1149617875 VGMSFXRXANFBDQ-UHFFFAOYSA-N 427.479 -0.252 50 10 IBGE NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=S)NCC3CCC3)CC2=O)c1 1300091048 WXAUGFHKLNABQU-GFCCVEGCSA-N 425.536 -0.018 50 10 IBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1-n1cnnn1 1463791116 HNOURRGOJLPQGV-QMMMGPOBSA-N 429.256 -0.380 50 10 IBGE CN(NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1611046025 TUGOTJQUJPZYNS-UHFFFAOYSA-N 436.535 -0.640 50 10 IBGE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1652301861 RNNMXDXOJVOUSF-NJZAAPMLSA-N 446.551 -0.824 50 10 IBGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1sc(Cl)cc1B(O)O 2303775301 AMRKLSQLIUIXFR-UHFFFAOYSA-N 428.684 -0.203 50 10 IBGE CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1290040710 NLEOJHCEHGIZLM-OAHLLOKOSA-N 440.522 -0.027 50 10 IBGE C[C@H](c1nscc1B(O)O)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2130025246 GDCHPWARZQMSEP-LLVKDONJSA-N 437.308 -0.168 50 10 IBGE Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)n1 1682367148 LPUMBEBQBODCDN-HNNXBMFYSA-N 429.547 -0.215 50 10 IBGE O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 814300165 IDPYCANLWLRWCY-QGZVFWFLSA-N 446.556 -0.105 50 10 IBGE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)[C@@H]1CCc2nncn2C1 816876723 CHPWWTYSARZPSC-SNVBAGLBSA-N 446.411 -0.015 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@]12COCCN1C(=O)OC2 1687372628 DDHVNGXWTPBWGF-OAQYLSRUSA-N 446.508 -0.250 50 10 IBGE Cn1nc(C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(B(O)O)c1Cl 2282261677 CWTFGUMJJRLMFI-QWHCGFSZSA-N 436.661 -0.433 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2ccccc2B(O)O)C1 2282719725 PSGHDHSTLBADSZ-MRXNPFEDSA-N 434.279 -0.318 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3COCCO3)c2)C[C@@H](C)O1 744643746 RNAXLSKXFSGRBW-ZENOOKHLSA-N 427.479 -0.339 50 10 IBGE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999673 HYDFWVOPZAQUKM-UHFFFAOYSA-N 441.238 -0.056 50 10 IBGE O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 814294190 NSCLAVLVGGSEEY-INIZCTEOSA-N 427.513 -0.222 50 10 IBGE N=c1nn[nH]n1-c1cccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 1152744999 BQNOUTQWIYJBBE-UHFFFAOYSA-N 430.288 -0.485 50 10 IBGE CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1466200827 PEIKSKNFYCZERZ-CYBMUJFWSA-N 433.556 -0.606 50 10 IBGE O=C1CSC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)N1 1538393370 UVZAQHMWPIGSGO-AWEZNQCLSA-N 426.520 -0.146 50 10 IBGE C[C@]1(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCS(=O)(=O)N1 1545424321 VOVRATHQNHITIV-LJQANCHMSA-N 437.522 -0.936 50 10 IBGE CN1CCOC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1687330340 JTSDVNCAJUTPAU-OAHLLOKOSA-N 425.511 -0.254 50 10 IBGE O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NNC(=O)[C@@H]1COCCO1 745792810 KYCKAOUUTROXAN-HNNXBMFYSA-N 425.873 -0.266 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1Br 1557734035 GAOQZDNEPGVCPR-UHFFFAOYSA-N 442.313 -0.495 50 10 IBGE COCCCOCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1182149898 UFWWMEYBWQJKLJ-UHFFFAOYSA-N 429.495 -0.088 50 10 IBGE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1452932110 CXUFNJIJUSLOQY-LFTMDZKFSA-N 427.523 -0.189 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cn2ncc3cccnc32)CC1 1610952282 MYQPRIPVMRNGSV-UHFFFAOYSA-N 430.494 -0.094 50 10 IBGE Cn1nc(I)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 1641368005 NBRUVUMOQIIIIL-UHFFFAOYSA-N 428.190 -0.389 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53 800517754 RQCPHVBVHFSFKY-YMPNXWNPSA-N 434.496 -0.081 50 10 IBGE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282359277 LRZKLBOGMRTQOM-SECBINFHSA-N 443.114 -0.163 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2)CC1 748618406 CMYVYXQUMGKXQL-UHFFFAOYSA-N 438.510 -0.604 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)n(C)c1=O 788866298 SLFOUZGSWCOXBS-BBRMVZONSA-N 426.433 -0.846 50 10 IBGE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2=O)n(C)n1 1632750952 OKFIYGFOXHKCPM-SFHVURJKSA-N 425.298 -0.638 50 10 IBGE CN1CCN(CC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)CC1 1865760443 XTCWJEWMGYDRPJ-UHFFFAOYSA-N 436.472 -0.114 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1B(O)O 2108232880 BURIMUFPFZSLTN-KRWDZBQOSA-N 440.283 -0.128 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1S(=O)(=O)N(C)C 1456032889 XQLZSQSDOMNJPB-HNNXBMFYSA-N 440.522 -0.040 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 1149621558 CCJVAFNBPPPQFZ-QGZVFWFLSA-N 437.566 -0.209 50 10 IBGE Cc1cn2nc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc2c(=O)[nH]1 1445567675 UVDGRZRCDGYUCP-UHFFFAOYSA-N 437.460 -0.450 50 10 IBGE NS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)s1 1624128104 RNOIQZJZNXQIJB-UHFFFAOYSA-N 446.370 -0.236 50 10 IBGE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884353 XJGABCJSKSPSAS-LRTDBIEQSA-N 437.460 -0.013 50 10 IBGE O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(B(O)O)ccc1F 1290934023 WFOBBXFIWOILDW-UHFFFAOYSA-N 436.270 -0.403 50 10 IBGE COc1ccc(/C=C(/C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 755517638 PZZVVDMLKMRIBF-XFFZJAGNSA-N 444.423 -0.168 50 10 IBGE CCn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 1463715826 ITQGVGONCKGHGC-UHFFFAOYSA-N 436.494 -0.287 50 10 IBGE COc1cc(C(=O)NNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)ccc1OCCC(C)C 1538392723 IFTUQTBHSNQJQA-ZDUSSCGKSA-N 427.479 -0.206 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cc2nc(C3CC3)nn2C)CC1 1650834225 ZIRVZPWHRSWQCO-UHFFFAOYSA-N 434.526 -0.291 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCN(c3nccn(C)c3=O)CC2)cc1OC 745991387 PQJOMWOROLLMGD-UHFFFAOYSA-N 430.465 -0.619 50 10 IBGE O=C(NNC(=O)c1cnc(I)c(O)c1)N[C@H]1CCS(=O)(=O)C1 1142193615 PYGHCQMURQWDON-ZETCQYMHSA-N 440.219 -0.477 50 10 IBGE CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1637755744 OTODRZUVZFASLD-OAHLLOKOSA-N 441.529 -0.381 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2sccc2B(O)O)C1 2267208908 ORXAYIVZNKJAQU-AWEZNQCLSA-N 440.308 -0.256 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccnc3ccccc23)n(C)c1=O 765725027 OQJBAKHIUYUFQA-FPLPWBNLSA-N 433.428 -0.157 50 10 IBGE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 807378692 JZIRBEDGMRTYBL-CQSZACIVSA-N 428.515 -0.320 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(S(C)(=O)=O)CCCC2)CC1 1457670779 IBQSXKFJLOJNBN-UHFFFAOYSA-N 445.567 -0.182 50 10 IBGE NS(=O)(=O)CCCCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1686612640 CBWMNWFAOCVKOQ-UHFFFAOYSA-N 426.543 -0.402 50 10 IBGE COC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NNC(C)=O)c(C(=O)OC)c1C 586297058 ZXDVCPAXCMWALH-NDEPHWFRSA-N 433.464 -0.516 50 10 IBGE O=C(NNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)[C@@H]1COCCO1 746000075 YLGJVJTYBDUVMV-SFHVURJKSA-N 431.493 -0.260 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919695936 LZANUUAKZSDHQU-UHFFFAOYSA-N 437.254 -0.249 50 10 IBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1565440302 MLOQZJNRGRFRQZ-SCRDCRAPSA-N 425.486 -0.038 50 10 IBGE COC(=O)c1cnn(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 1635504726 FRHZLVLDXACWAD-UHFFFAOYSA-N 428.449 -0.725 50 10 IBGE CC(CS(=O)(=O)c1ccc(C)cc1)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764816425 GIGRRBAMCOSEMJ-UHFFFAOYSA-N 446.489 -0.292 50 10 IBGE O=C([C@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)CBr)CC1 1152745143 CURMYUDDYBIMLD-QWHCGFSZSA-N 447.311 -0.216 50 10 IBGE CCOC(=O)C1([S@](C)=O)CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 1654480034 VNZCEOZJPRFZON-NDEPHWFRSA-N 430.552 -0.082 50 10 IBGE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884354 XJGABCJSKSPSAS-YEJXKQKISA-N 437.460 -0.013 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)c1cc[nH]n1 1629180471 YVAYRVDLHYMPDU-UHFFFAOYSA-N 436.494 -0.181 50 10 IBGE Cn1nnc(Br)c1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Br 2121369214 RKOXRWUTEQJKJV-CRCLSJGQSA-N 438.123 -0.584 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C1 2168109832 VZYBVWPTJRLZRW-XQHKEYJVSA-N 425.935 -0.533 50 10 IBGE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ncc(Br)cc1B(O)O 2240345668 WECRMWRKOAKFDZ-INIZCTEOSA-N 446.107 -0.384 50 10 IBGE Cc1nc(CC(C)C)sc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766642942 HSIHVAZWACBZCI-UHFFFAOYSA-N 433.494 -0.142 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)C(C#N)=Cc1cccc(Br)c1 2324521734 QKPFAWNNLAVRKK-VGWMRTNUSA-N 429.267 -0.750 50 10 IBGE O=C(NNC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 1353255801 FJCJHFUHEUKUNM-MRXNPFEDSA-N 433.483 -0.241 50 10 IBGE Cc1ccc(/C=C\S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765126464 SHQWEJYZZGZNOU-HJWRWDBZSA-N 432.462 -0.636 50 10 IBGE CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1465791962 PKNOVXHVIJSLFA-MRXNPFEDSA-N 425.555 -0.412 50 10 IBGE CS(=O)(=O)N1CC[C@H](NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 1565012577 QGXREKQDESIRFH-INIZCTEOSA-N 438.554 -0.437 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nc3n(c2=O)CCCC3)cc1 1650643260 YPLNZVRROSZINN-UHFFFAOYSA-N 436.494 -0.842 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c1=O 765721686 FHYHJCUSASPKBR-VHSXEESVSA-N 430.387 -0.050 50 10 IBGE Cc1cccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Cl 775676227 AJZMHXSTQYWEQF-UHFFFAOYSA-N 440.869 -0.595 50 10 IBGE CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1463691331 OOVFEGJYXOENQI-UHFFFAOYSA-N 431.478 -0.110 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1CN(C2CCOCC2)C1 1545424310 VJNPTYAOSBVSCK-UHFFFAOYSA-N 429.521 -0.297 50 10 IBGE O=C(OCc1ccccc1)N1CCN(S(=O)(=O)Cc2ncsc2B(O)O)CC1 2255751321 YVRZSCHNQPLMSR-UHFFFAOYSA-N 425.297 -0.393 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@H](CO)C1 2282360144 YFQWFQUVNKWECL-VIFPVBQESA-N 440.736 -0.316 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C)c1=O 765721687 FHYHJCUSASPKBR-ZJUUUORDSA-N 430.387 -0.050 50 10 IBGE O=C(NNC(=O)C1CCOCC1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1635972491 ZMXFEJANPWSEPF-UHFFFAOYSA-N 440.478 -0.412 50 10 IBGE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCc3ccco3)CC2)C[C@@H](C)O1 748334261 OBVGNAWCEBPMOG-GASCZTMLSA-N 443.526 -0.075 50 10 IBGE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 767224662 OHZUIFTWVGYTOY-HNNXBMFYSA-N 427.483 -0.664 50 10 IBGE C#CCCCC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1639192304 RJYBTPDZZJMAQN-OAHLLOKOSA-N 429.520 -0.281 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1OC 1643364442 MWECTMLTTDNCEL-BBRMVZONSA-N 427.479 -0.647 50 10 IBGE CCN1CC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1687421115 FMXOSECPDKZMEJ-HNNXBMFYSA-N 425.511 -0.254 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NNC(=O)[C@H]1COCCO1 745978111 FBKIJNGIOLFBCB-OAHLLOKOSA-N 447.535 -0.105 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)cc1OC 1196198282 JAUIJZWGBOUJOB-UHFFFAOYSA-N 426.495 -0.425 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1642618988 BFMJTAULTNLRHG-UHFFFAOYSA-N 445.441 -0.044 50 10 IBGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(OC)c1)C=2C(=O)N(C)C 1080323725 SKPSGTBVFBKUIX-INIZCTEOSA-N 440.481 -0.441 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)c1 1289966675 HFNDQELAEMAPRQ-UHFFFAOYSA-N 449.555 -0.784 50 10 IBGE COc1ccc(CC(=O)NNC(=O)[C@H]2CCCCO2)cc1S(=O)(=O)N1CCOCC1 1534289025 OHNOFNMYYXAPAZ-MRXNPFEDSA-N 441.506 -0.025 50 10 IBGE O=C(NNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1540554956 SLFKBMKKBBNBRQ-HUUCEWRRSA-N 425.463 -0.394 50 10 IBGE CC(=O)NS(=O)(=O)c1ccc(NN=C2C(=O)N(C[C@H](C)O)C(=O)C(C#N)=C2C)cc1 263629503 PUTAZHZCMIEFFD-JTQLQIEISA-N 433.446 -0.131 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 744645475 UAFBMORUKSIRFU-JSGCOSHPSA-N 447.897 -0.026 50 10 IBGE CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1 764815040 BFBKWACNCQGQLJ-UHFFFAOYSA-N 439.476 -0.189 50 10 IBGE CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1289967174 UYVTXEKQPORWLI-UHFFFAOYSA-N 432.524 -0.486 50 10 IBGE COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1 27495938 UCTBEDBJJJLFMQ-KEBDBYFISA-N 427.425 -0.163 50 10 IBGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c1CN1CCOCC1 254480437 PTNKJAXRDWFABK-UHFFFAOYSA-N 442.396 -0.263 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@@]3(O)CCCOC3)nc2)CC1 1230559486 LXIDSTXFZQLVDC-SFHVURJKSA-N 442.542 -0.425 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)C(OC)OC)CC1 1460374571 FRQIBOLJZCTJAL-UHFFFAOYSA-N 428.873 -0.127 50 10 IBGE Cc1nn(C)cc1C1=NO[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1586905435 QBYZSNFVRWSQGS-MRXNPFEDSA-N 434.478 -0.067 50 10 IBGE Cc1nc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(B(O)O)n1C 2282351110 WORINQBYEVCTEH-GJZGRUSLSA-N 436.299 -0.514 50 10 IBGE COc1cc(C(=O)NNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)ccc1OC(C)C 1253793260 SENWBQWXOROIRB-UHFFFAOYSA-N 429.499 -0.083 50 10 IBGE O=C(NNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)c1csc(N2CCOCC2)n1 1440328350 ABNLLUINFHZYFF-DTWKUNHWSA-N 442.441 -0.036 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN2CCCCC(=O)C2=O)CC1 1610948394 ZDXQRWPJQPCVQG-UHFFFAOYSA-N 438.510 -0.958 50 10 IBGE COC(=O)[C@@H]1O[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C 1635500840 PCIUZDJWJOCBRN-QGPMSJSTSA-N 432.477 -0.442 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 744652154 DEUQGBJBBSCIQY-HNNXBMFYSA-N 433.433 -0.072 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1ccccc1S(=O)(=O)N1CCOCC1 816882086 WZLFLTUHTVCVNA-CYBMUJFWSA-N 434.478 -0.677 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3n(n2)CCCC3=O)CC1 1654359898 VQGWVTFXZWTSFY-UHFFFAOYSA-N 433.494 -0.052 50 10 IBGE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)C1=O 816882560 HZUGKGNGBLCXQY-WLRWDXFRSA-N 429.412 -0.406 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C2CCOCC2)c1 1132979675 HIXDZJNOSNLWLF-UHFFFAOYSA-N 440.522 -0.039 50 10 IBGE Cc1nn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n1C 1135410167 RZGXSSLTSYYOAW-UHFFFAOYSA-N 436.494 -0.474 50 10 IBGE CC(C)[C@H](NC=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1264193995 FHCHDZUUSOMBAQ-SFHVURJKSA-N 440.522 -0.442 50 10 IBGE CCN(OC)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1682248196 JXGJKELMJBQLQH-UHFFFAOYSA-N 427.483 -0.175 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 1687558163 BDBOMEOHNJHLBZ-YCPHGPKFSA-N 426.495 -0.250 50 10 IBGE COC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NNC(C)=O)c(C(=O)OC)c1C 586297057 ZXDVCPAXCMWALH-MUUNZHRXSA-N 433.464 -0.516 50 10 IBGE Cc1nc2ccccc2n1CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 773389271 FYCHTWFSGQZWOO-UHFFFAOYSA-N 438.448 -0.670 50 10 IBGE Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)n(C)c1=O 788869066 CNSMKXNPDAVEOX-YOEHRIQHSA-N 440.460 -0.456 50 10 IBGE C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 790462194 JXWQVHUDTKQFIH-JOCHJYFZSA-N 427.505 -0.041 50 10 IBGE CCCn1nc(C(=O)NNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)c2ccccc2c1=O 1351663681 ZOUQBIMPKNPRRE-OAHLLOKOSA-N 443.460 -0.021 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)c2ccc(I)cc2-n2cnnn2)N1 1543096925 XCKXHJLRXOCYHQ-SECBINFHSA-N 441.189 -0.694 50 10 IBGE CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1683564678 HVVLLQRIWWSKDE-CYBMUJFWSA-N 433.531 -0.002 50 10 IBGE CCN1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 802532589 QSULXKRMAIRKII-HNNXBMFYSA-N 439.494 -0.728 50 10 IBGE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 1351202556 XGOOAYVLQXXTDS-AWEZNQCLSA-N 431.536 -0.346 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N[C@@]2(C)CCCN(C(=O)OCc3ccccc3)C2)n1 2282739665 NDVCRRQIKFAXBX-SFHVURJKSA-N 436.299 -0.431 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 748358436 NOXGKHYTIPPLBS-QGZVFWFLSA-N 446.485 -0.182 50 10 IBGE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1135417289 XZUIPCZFPKNBDK-RISCZKNCSA-N 425.511 -0.204 50 10 IBGE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nscc1B(O)O 2130087954 MFFYXHVSNDXBCA-NSHDSACASA-N 437.308 -0.120 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742501576 WADYKTJXCKSSOJ-WFFHOREQSA-N 425.239 -0.289 50 10 IBGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 814215045 JKCFZSPOBRFGFE-CQSZACIVSA-N 433.508 -0.496 50 10 IBGE CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1137579500 YBIHCNXDQXULRM-UHFFFAOYSA-N 434.565 -0.016 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NNC(=O)[C@H]1CCCO1 1159971578 GWNJDNMSKUOYKJ-REWJHTLYSA-N 431.511 -0.017 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1182609550 SPBVPILWCFTROX-APPZFPTMSA-N 433.284 -0.040 50 10 IBGE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C[C@@H](C)O)CC2)cc1 1570116409 YEPIKBJZUWJHCT-OAHLLOKOSA-N 442.538 -0.348 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1623325112 KDDZQCBQTJHAHV-CYBMUJFWSA-N 438.959 -0.147 50 10 IBGE Cc1nc(O)nc(S)c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1630996684 PYSKLMFEBNGOEA-UHFFFAOYSA-N 430.490 -0.002 50 10 IBGE C[C@H](O)CN(CCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(=O)OC(C)(C)C 2282726263 PJFGAVIBUYGCRR-VIFPVBQESA-N 442.752 -0.023 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1296988553 VPWQCNMXHDIBOG-UHFFFAOYSA-N 425.449 -0.182 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1479497462 CDCVAAWIKHMAOY-OLZOCXBDSA-N 443.501 -0.412 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)nc2)CC1 1683987626 ZBNIYXWRCIAUNF-YCPHGPKFSA-N 440.526 -0.552 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 1687558162 BDBOMEOHNJHLBZ-FMKPAKJESA-N 426.495 -0.250 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(B(O)O)n[nH]2)C1 2247885317 JNADCBIHASHRBB-UHFFFAOYSA-N 430.270 -0.286 50 10 IBGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c[nH]nc2B(O)O)C1 2255581600 BSBLVAXVLMYRMG-INIZCTEOSA-N 443.313 -0.059 50 10 IBGE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282380872 OYSDVWSWBJVQLX-UWVGGRQHSA-N 440.736 -0.006 50 10 IBGE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282735611 DFBLHLMMPGZZBR-SANMLTNESA-N 439.346 -0.630 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCc3nncn3CC2)CC1 1182822676 KYMTYQLWRJEWFU-AWEZNQCLSA-N 434.526 -0.295 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2187578323 OSFJXXBXLHQYQB-RNJOBUHISA-N 425.935 -0.533 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 745411238 CDZUZAXLHNJAAQ-INIZCTEOSA-N 426.495 -0.106 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)CC1 1160865639 VQTJMQYSKPDLQF-GOOCMWNKSA-N 437.522 -0.298 50 10 IBGE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1290726691 UHFBIMADZQSPQN-UHFFFAOYSA-N 427.307 -0.227 50 10 IBGE CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1445560150 BPVXDQTVWFEMPE-CQSZACIVSA-N 445.973 -0.067 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCOC3=O)nc2)CC1 728397908 VFYNOUACXYGSRF-UHFFFAOYSA-N 441.514 -0.514 50 10 IBGE CC(C)N1C(=O)N=C(NNC(=O)NS(=O)(=O)c2ccccc2Cl)NS1(=O)=O 1088724202 QKYQZWXMPGNWFY-UHFFFAOYSA-N 438.875 -0.133 50 10 IBGE O=C1COc2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c(Br)cc2N1 1116533669 HRYALXMGFVXNIL-SSDOTTSWSA-N 432.252 -0.024 50 10 IBGE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NNC(=O)CN1CCCc2ccccc21 1538915626 YOXHKWZOEIVZKN-UHFFFAOYSA-N 439.538 -0.579 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCN3C(=O)CCNC3=S)CC2)cc1 1566278840 UDVXMZKTZVLYHZ-UHFFFAOYSA-N 446.577 -0.243 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC2)c(C)c1 1642619645 OCZANRUFJIKAJQ-UHFFFAOYSA-N 431.536 -0.104 50 10 IBGE CC(C)Oc1cccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765726378 AOHSOAPYMSDZRF-UHFFFAOYSA-N 428.449 -0.389 50 10 IBGE C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1264258029 MHXFLQLGAQAZHU-KGLIPLIRSA-N 432.543 -0.054 50 10 IBGE CO[C@@H]1COCC[C@H]1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1472517982 UCVQDCSOZKTMRC-LSDHHAIUSA-N 427.527 -0.098 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1648415301 HHCFGEIZUMDRKR-GTNSWQLSSA-N 426.882 -0.020 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c[nH]c2ccc(Br)cc2c1=O 769927155 NBIXHIGEGMRTSD-ZETCQYMHSA-N 431.268 -0.011 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1COCCO1 744644134 SNMGKDJSWGBYIL-CHWSQXEVSA-N 435.499 -0.212 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CSC(=O)N3)CC2)cc1 766636109 JORPRSFYJZPTLV-CQSZACIVSA-N 441.535 -0.726 50 10 IBGE O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 788874095 KPDNJHVCUIHHFO-MPGHIAIKSA-N 448.501 -0.128 50 10 IBGE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cc(B(O)O)ccc3F)ncnc1-2 1543058063 QHRGFUBWPFQEKF-UHFFFAOYSA-N 437.038 -0.840 50 10 IBGE CN(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 733359639 VBSZVQIKXVSQDP-UHFFFAOYSA-N 449.327 -0.207 50 10 IBGE COc1ccc([C@@H](CNC(=O)NNC(=O)[C@H]2COCCO2)N2CCOCC2)cc1OC 745289925 BXIVCXUKGNZNGN-CRAIPNDOSA-N 438.481 -0.177 50 10 IBGE Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1S(=O)(=O)N1CCOCC1 816875982 MPFLPUDZALQRHZ-HNNXBMFYSA-N 448.505 -0.369 50 10 IBGE CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1152745635 LYXGTGGBYJYBLJ-UHFFFAOYSA-N 429.318 -0.652 50 10 IBGE C[C@]1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1Br 1441798291 MYCJTFHYBMCFTM-LOWVWBTDSA-N 429.358 -0.179 50 10 IBGE O=C(N[C@@H]1[C@H]2C[C@@H]1N(S(=O)(=O)Cc1ncsc1B(O)O)C2)OCc1ccccc1 2334273400 MMROTJXNFSPAEB-AEGPPILISA-N 437.308 -0.348 50 10 IBGE Cn1cc(C(=O)NNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cn1 1293760673 GMHLVENJMPPWEG-SJKOYZFVSA-N 427.483 -0.537 50 10 IBGE CCO[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)CN(C)C 1471295782 HFOGWBILJWXXKR-OAHLLOKOSA-N 443.574 -0.390 50 10 IBGE CNS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1628699824 BLHSPUOSVRGPEM-UHFFFAOYSA-N 425.515 -0.983 50 10 IBGE CC(N)=C(C#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2053515325 OQYLIESPWVBLJS-RISCZKNCSA-N 438.418 -0.413 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 741598021 TWMROGKVXFBXIA-NSHDSACASA-N 444.416 -0.029 50 10 IBGE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C1=O 1456035838 DYEWSZAYLVUSJP-KKSFZXQISA-N 429.477 -0.146 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3[C@H]4CCC(=O)[C@@H]43)CC2)cc1 1465790768 UCOBAMMDILKVDX-KFKAGJAMSA-N 434.518 -0.326 50 10 IBGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1530203208 AXEQLHPJCXXORU-GXTWGEPZSA-N 427.479 -0.098 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 1624409711 GNKMMOIODOSRIP-HIFRSBDPSA-N 432.568 -0.103 50 10 IBGE O=C([C@@H]1C[C@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)CBr)CC1 1631772573 MYMOCAVCFIKTQU-RYUDHWBXSA-N 434.316 -0.757 50 10 IBGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1CN1CCOCC1 254347439 IIOIYQGOJWWJAP-UHFFFAOYSA-N 442.396 -0.263 50 10 IBGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3COCCO3)CC2)c1 744640935 FKRCUGADBZKOAT-QGZVFWFLSA-N 439.490 -0.147 50 10 IBGE CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1141786748 UMUXTISLOXETHF-OAHLLOKOSA-N 445.563 -0.062 50 10 IBGE CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1253570431 OACNQXGFMGYJQC-OAHLLOKOSA-N 439.494 -0.728 50 10 IBGE C[C@H](CC(=O)NNC(=O)c1ccc(=O)n(C)c1)NS(=O)(=O)c1cccnc1Cl 1472185836 BZWLGQDKUQFUIF-SNVBAGLBSA-N 427.870 -0.048 50 10 IBGE Cn1nccc1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 766342271 MKUUCBMCAGUXTK-UHFFFAOYSA-N 435.506 -0.236 50 10 IBGE CCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1C1CCCC1 789813239 HJRIMZCMXOKJPK-UHFFFAOYSA-N 442.480 -0.231 50 10 IBGE O=C(NNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)[C@H]1COCCO1 754215122 MFXKYLHJMUXVAE-NVXWUHKLSA-N 438.506 -0.001 50 10 IBGE COc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1OC 804458358 DGHJMKUFWZRXAZ-UHFFFAOYSA-N 430.421 -0.779 50 10 IBGE COc1cc(OC)nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1587968997 SICZWHXTIQTLQQ-UHFFFAOYSA-N 428.449 -0.287 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CNC(=O)c3ccccc32)CC1 1648592639 IWBKBMSIJPEVLI-MRXNPFEDSA-N 444.517 -0.012 50 10 IBGE CCOCC(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1252759707 HUTJDXJNYBAQPH-UHFFFAOYSA-N 443.526 -0.486 50 10 IBGE COc1nc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)co1 1294587911 RMCRZHPZFPAVCC-UHFFFAOYSA-N 437.478 -0.241 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)N1 1470061493 MGAVLGIWQUVAIP-GDBMZVCRSA-N 435.456 -0.548 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n(C)c1=O 765733019 ZOUTYDRGOWYWGC-ZYHUDNBSSA-N 432.387 -0.337 50 10 IBGE CN(CCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1)S(=O)(=O)c1cccs1 814313520 BFLGRCXYSBIONW-NSHDSACASA-N 427.512 -0.447 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CS(C)(=O)=O 1149617423 LWPYNTCGRLWYSF-NSHDSACASA-N 441.528 -0.582 50 10 IBGE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H]1COCCO1 1566168782 SHTFVKSKLVXYLJ-KBPBESRZSA-N 447.897 -0.564 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2ccc(B(O)O)cc2C1 2149925543 KXASVXROGBVCHZ-UHFFFAOYSA-N 428.275 -0.259 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2cscc2B(O)O)C1 2267417506 XPKQTVPLDXXJCR-AWEZNQCLSA-N 440.308 -0.256 50 10 IBGE CC(C)Oc1ccccc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728878 AECSDFUBQSJTSS-UHFFFAOYSA-N 428.449 -0.389 50 10 IBGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CS(=O)(=O)C[C@@H]21 1636592020 VXOKGTBBNXZFIO-CABCVRRESA-N 442.274 -0.636 50 10 IBGE Cn1cc(C(=O)NNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1=O 1685941263 NLSZBRLVPHCLBJ-ZWKOTPCHSA-N 438.488 -0.072 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 741709688 NTQNESJBHPBIDP-VXGBXAGGSA-N 431.417 -0.159 50 10 IBGE COC(=O)c1ccn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 1264245165 KEQWWPQHOVKDRP-UHFFFAOYSA-N 435.462 -0.085 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)N1 1631014620 KNOHKJCOQCXNMA-HNNXBMFYSA-N 429.930 -0.703 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nccc(C)n3)CC2)cc1 792238005 PJJUPQVUTCIXBD-UHFFFAOYSA-N 432.506 -0.139 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)[C@H]1c1nccn1C 1357570023 XLKWAAQUSSKAEI-GJZGRUSLSA-N 434.478 -0.653 50 10 IBGE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 1478950873 MISDDLPZBAMIQI-NEPJUHHUSA-N 436.284 -0.030 50 10 IBGE CS(=O)(=O)N1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 1617980029 QQXFMUNEOJERCA-UHFFFAOYSA-N 430.508 -0.877 50 10 IBGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)ccc1=O 1157843637 BFGZXHGOQQMCLT-UHFFFAOYSA-N 449.308 -0.051 50 10 IBGE O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cccc(Cl)n3)cc2)CCN1 1470134483 KWLXPVZTLJBSGE-UHFFFAOYSA-N 437.865 -0.070 50 10 IBGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1637744120 VCTSYVAILIREPS-VLIAUNLRSA-N 436.465 -0.189 50 10 IBGE COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 1641727572 HAYJRZDOLLKINI-SFHVURJKSA-N 433.553 -0.156 50 10 IBGE O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1440701827 FDRUPGVAIUWXCR-AWEZNQCLSA-N 429.520 -0.259 50 10 IBGE CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C#CC1CC1)c(=O)n2Cc1ccccc1 1540696065 UNKSERUAUFRHFG-UHFFFAOYSA-N 434.456 -0.011 50 10 IBGE O=C(COc1ccccc1)NN=Cc1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 254745763 NMQTXLJVOYYIFX-JBINPLMMSA-N 432.429 -0.606 50 10 IBGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1 254812705 UCTBEDBJJJLFMQ-UHFFFAOYSA-N 427.425 -0.163 50 10 IBGE CN(C)N(C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1625795412 PZNCJJFFFFASRS-HUUCEWRRSA-N 428.486 -0.779 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(Cl)C2)[C@@H]2CS(=O)(=O)C[C@H]21 2265377068 KABKFXRENKRUOE-VXGBXAGGSA-N 429.948 -0.128 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1COCCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282360038 WTWXXXCOUGKRGE-SECBINFHSA-N 440.736 -0.005 50 10 IBGE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793221537 NLFCNGMNVRATQI-HNNXBMFYSA-N 446.508 -0.062 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCc4nnnn4CC3)CC2)cc1 1137300094 FEBOTCSXKCCEDC-SFHVURJKSA-N 426.525 -0.101 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1182609553 SPBVPILWCFTROX-VXNVDRBHSA-N 433.284 -0.040 50 10 IBGE Cc1nnc(CN(C)CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1C 746092760 CBTDPSIBRSHQJI-UHFFFAOYSA-N 449.537 -0.199 50 10 IBGE O=C(Cn1c(O)nc2ccccc2c1=O)N1CCN(S(=O)(=O)CBr)CC1 777777309 HONCECMVDCIWNU-UHFFFAOYSA-N 445.295 -0.072 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCc2nncn2C1 816874289 ZRWJWFHEKKUAHY-SNVBAGLBSA-N 428.421 -0.365 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)NC[C@]12COCCN1C(=O)COC2 1235028477 OYFMCXBNXDWWGY-OAHLLOKOSA-N 430.259 -0.641 50 10 IBGE O=C(CNC(=O)c1cccnc1)NNC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1654406364 SSMVWVRMFVZEGX-UHFFFAOYSA-N 433.428 -0.200 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2187584368 OSFJXXBXLHQYQB-FDYHWXHSSA-N 425.935 -0.533 50 10 IBGE COc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 746003617 QMNWOOLSXPDERM-HNNXBMFYSA-N 428.467 -0.842 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282371419 JGJKBFXJFJBZBM-WCBMZHEXSA-N 440.736 -0.101 50 10 IBGE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2285474878 WVYAKMUVJWBYAM-YNEHKIRRSA-N 427.951 -0.286 50 10 IBGE O=C(CCCc1ccccc1)NNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 727845382 NNOPOFPMDYVMDP-UHFFFAOYSA-N 439.538 -0.055 50 10 IBGE C[C@@H]1CCN(c2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccn2)C1 766645276 RYIWMEMMYCIZFT-GFCCVEGCSA-N 440.464 -0.864 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nn1 1130910113 VEIUAYNVGYBJAQ-UHFFFAOYSA-N 428.858 -0.436 50 10 IBGE O=C(COc1ccccc1Br)NNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1132945715 BTAUOHPCXVMWPV-SECBINFHSA-N 439.226 -0.011 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1(n2cnnn2)CCCCC1 1445565244 NKBJJJVQOAMRMR-UHFFFAOYSA-N 440.508 -0.062 50 10 IBGE Cc1nn(C)c(B(O)O)c1C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2281846286 WGRGNNDIANFKEH-LBPRGKRZSA-N 428.176 -0.005 50 10 IBGE Cc1c(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(B(O)O)nn1C 2281847376 MAFXLVOHEBAFLO-GFCCVEGCSA-N 428.176 -0.005 50 10 IBGE CC(C)(C)OC(=O)N1CCOC[C@H]1CNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282358627 BWUZMCSRJWUFNA-SECBINFHSA-N 440.736 -0.005 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 741709684 NTQNESJBHPBIDP-NWDGAFQWSA-N 431.417 -0.159 50 10 IBGE O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)NNC(=O)[C@H]1COCCO1 745402219 AFGOFZASPZMSNU-MRXNPFEDSA-N 442.494 -0.906 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 766664920 XSEITZXDMJTJLE-UHFFFAOYSA-N 436.860 -0.195 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1467485114 JVPQUKDHTJFGMB-UHFFFAOYSA-N 426.430 -0.216 50 10 IBGE CN(C)S(=O)(=O)N1CC(NC(=O)NNC(=O)c2ccc(Br)s2)C1 1479063198 ONFHZULJFMHUIN-UHFFFAOYSA-N 426.318 -0.055 50 10 IBGE O=C1CN(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCN1 1540393632 UCEULEHSHMHBLB-UHFFFAOYSA-N 434.456 -0.362 50 10 IBGE CC1=C(C(=O)N2CCN(S(=O)(=O)CBr)CC2)[C@H](C)n2nnnc2N1C 1137882019 JAKNOTUZDGHRIZ-JTQLQIEISA-N 434.320 -0.216 50 10 IBGE O=C(c1nc2ncc(CCO)cn2n1)N1CCN(S(=O)(=O)CBr)CC1 1152745853 NMWTYJHAEPKYJO-UHFFFAOYSA-N 433.288 -0.901 50 10 IBGE Cn1cc(C(=O)NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)ccc1=O 1179628717 MGACROPFMLGTHG-INIZCTEOSA-N 438.444 -0.304 50 10 IBGE Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc21 1546249821 POCKDDOSFHYKQN-UHFFFAOYSA-N 446.283 -0.526 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCCC34OCCO4)nc2)CC1 1675465979 YDJRLWYVBNSLDP-OAHLLOKOSA-N 440.526 -0.061 50 10 IBGE COc1ccc(C=NNC(=O)c2c(CN3CCOCC3)nnn2-c2nonc2N)cc1O 254441983 FNIRFJRUIQYYHI-UHFFFAOYSA-N 443.424 -0.457 50 10 IBGE COCCN1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 732463758 QXVXVJZZYRUFOQ-HNNXBMFYSA-N 427.527 -0.008 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccc(F)cc2F)n(C)c1=O 1149622966 USRSPZPFCNOOOA-UHFFFAOYSA-N 434.403 -0.163 50 10 IBGE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1631770933 AAUCXIONJNQQOP-JTQLQIEISA-N 430.321 -0.302 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2282714327 QJZXEKAFJDFFHM-NSWWBONSSA-N 434.283 -0.774 50 10 IBGE O=C1N[C@H](C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)CS[C@H]1Cc1ccccc1F 816878011 IKCFZESDNJECGM-SNPRPXQTSA-N 432.481 -0.030 50 10 IBGE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NNC(=O)[C@H]2COCCO2)cc1 1148561795 UYVFWVWXSPIUSN-DJIMGWMZSA-N 441.506 -0.503 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)Cc3cn4ccccc4n3)CC2=O)cn1 1355437170 LVOSYHNTDOOKOF-CQSZACIVSA-N 425.449 -0.080 50 10 IBGE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C1=O 1456035830 DYEWSZAYLVUSJP-IERDGZPVSA-N 429.477 -0.146 50 10 IBGE CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1478785498 YDNSWLGFQLKQDC-LSDHHAIUSA-N 428.467 -0.935 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C=O)cn3C)CC2)cc1 1566278834 TXGPGOIMPQYSRJ-UHFFFAOYSA-N 447.517 -0.086 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)N1 1635287632 QXXCQMQKCNAICS-GOSISDBHSA-N 444.536 -0.033 50 10 IBGE CN(CC[S@@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O)C(=O)OC(C)(C)C 2282742282 AGADCIGEZSJHBV-AREMUKBSSA-N 441.362 -0.383 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@H]3CNC(=O)C3)nc2)CC1 1675810926 ZNXKORUWRAMTMC-CYBMUJFWSA-N 425.515 -0.830 50 10 IBGE Cn1cc(C[C@@H](O)C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cn1 787125096 CWRBOBJVALJEGF-GOSISDBHSA-N 434.928 -0.058 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)n(C)c1=O 1635500891 QRMJDZGQCXHXKU-KGLIPLIRSA-N 428.424 -0.086 50 10 IBGE CN1C(=O)CS/C1=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1654138278 DQBZFDUOHBSCCU-YBEGLDIGSA-N 440.503 -0.485 50 10 IBGE CC(C)(C)OC(=O)N1CCO[C@H](CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282425998 WSECJOREBRZISL-SECBINFHSA-N 440.736 -0.005 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccccn3)c2)CC1 729391270 JHTNSKWNRKRAJN-UHFFFAOYSA-N 445.501 -0.062 50 10 IBGE CC(C)c1nn(C)c(Cl)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766633517 CIYKZXBQJIZHNW-UHFFFAOYSA-N 436.860 -0.595 50 10 IBGE C=CCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 1160404019 ZJVSPJRERDDPHC-UHFFFAOYSA-N 434.478 -0.050 50 10 IBGE COc1c(O)nc(O)nc1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1622153836 WIANTUQTJPCHBM-UHFFFAOYSA-N 430.465 -0.216 50 10 IBGE O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1635372041 NWVDELGGHPBWKI-NSHDSACASA-N 430.259 -0.888 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3c(n2)OCCO3)CC1 1650831206 JCTISQXWCHIRFP-UHFFFAOYSA-N 434.478 -0.059 50 10 IBGE CC(N)=C(C#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2053515324 OQYLIESPWVBLJS-FZMZJTMJSA-N 438.418 -0.413 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282727110 WJHIIMAKUYYQFD-ZJUUUORDSA-N 440.736 -0.270 50 10 IBGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccc(F)cc1)C=2C(=O)N(C)C 33732325 OWTNFWXDYZIBMF-NRUITVPNSA-N 428.445 -0.310 50 10 IBGE O=C(NNC(=O)C(F)(F)Oc1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 741709686 NTQNESJBHPBIDP-RYUDHWBXSA-N 431.417 -0.159 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776055361 MIINVGZKRJNSSC-SZMVWBNQSA-N 433.509 -0.033 50 10 IBGE O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCc2nncn2C1 816884534 BLJFEDRLTRGVQS-GXTWGEPZSA-N 426.433 -0.188 50 10 IBGE CS(=O)(=O)N1CC(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 1149649246 CIUVSVZADZFBJQ-UHFFFAOYSA-N 443.957 -0.504 50 10 IBGE CN1CCCC[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 1650647718 HODUPNXFAJHFTM-INIZCTEOSA-N 438.506 -0.273 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccccc1OCC(=O)N1CCOCC1 814655789 XKNSBJILPJKCHL-AWEZNQCLSA-N 443.464 -0.069 50 10 IBGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 1872962851 XMDMIQKRPCVAEI-OWCLPIDISA-N 449.533 -0.201 50 10 IBGE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282735247 XYVOZHJXOKHBPZ-MRVPVSSYSA-N 440.736 -0.270 50 10 IBGE COC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(OC)c1 757173922 YBHFNQNZBYLARP-CHWSQXEVSA-N 425.463 -0.040 50 10 IBGE COCCOc1ccc(/C=C(\C#N)C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 1866385733 HHUXEHWPJBDAHM-FQOXANJRSA-N 438.458 -0.310 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)CN(C)C 809661997 WINBPGUFKXNUET-UHFFFAOYSA-N 427.527 -0.656 50 10 IBGE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccc(=O)n(C)c3)C2=O)cc1 1134635400 VQOSNOLPGMGADL-FQEVSTJZSA-N 427.417 -0.378 50 10 IBGE O=C(NNC(=S)NCCc1cccs1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1290439754 QZUALHYXXPTHJH-NEPJUHHUSA-N 430.577 -0.179 50 10 IBGE CN1CCn2nc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2S1(=O)=O 1525077971 INUVFRAENHEHMZ-UHFFFAOYSA-N 431.272 -0.307 50 10 IBGE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 1641308356 LFHVCXOMYYIGRU-PXNSSMCTSA-N 449.467 -0.074 50 10 IBGE CNC(=S)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1642163411 XAYNXJPWEYRMNW-UQTJOTSZSA-N 448.592 -0.153 50 10 IBGE CO[C@@H]1COCC[C@@H]1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1472517981 UCVQDCSOZKTMRC-HUUCEWRRSA-N 427.527 -0.098 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)NCc1c(I)cnn1C 1479168621 ZJRAUEBWIFWYNC-MRVPVSSYSA-N 425.227 -0.093 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B(O)O)cn1 2247792407 UZHVEWZHCWBNBG-UHFFFAOYSA-N 439.278 -0.696 50 10 IBGE CN(C)CCN(/C=C(/C#N)C(=O)NCCCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 216762285 ASKRNJDTUQITOP-YHKKIHSWSA-N 425.555 -0.427 50 10 IBGE CCc1sc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)cc1C 736307793 CNVAHMCLABMYNF-UHFFFAOYSA-N 437.566 -0.144 50 10 IBGE Cc1cc(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)s1 765726917 HNBSXAIFCUDYMG-UHFFFAOYSA-N 446.489 -0.077 50 10 IBGE O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1646043775 DXFAUXKQPGHEJH-KRWDZBQOSA-N 445.524 -0.694 50 10 IBGE CC(C)(C)OC(=O)NC[C@H](CO)NS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282359688 RKKWIDZCJKTJPT-SECBINFHSA-N 443.114 -0.163 50 10 IBGE O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1COCCO1 745785936 FDOHCVLGTXLKQV-INIZCTEOSA-N 426.495 -0.167 50 10 IBGE C[C@@H](CCc1ccccc1F)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728923 ALHALXFPFLRGDO-LBPRGKRZSA-N 430.440 -0.011 50 10 IBGE C[C@@H](SCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729750 FVRNZSMXERHTQS-GFCCVEGCSA-N 430.490 -0.097 50 10 IBGE Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1=O 1135534638 CXNIADJRJBSSPT-UHFFFAOYSA-N 433.421 -0.188 50 10 IBGE O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)[C@H]1CCN1C1CCOCC1 1156184552 VKPOHUCMRRCUND-OAHLLOKOSA-N 428.486 -0.105 50 10 IBGE O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1440701829 FDRUPGVAIUWXCR-CQSZACIVSA-N 429.520 -0.259 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1557664073 LGWKXXSLWACJEB-KBPBESRZSA-N 428.536 -0.179 50 10 IBGE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 1641308358 LFHVCXOMYYIGRU-YLJYHZDGSA-N 449.467 -0.074 50 10 IBGE CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282735216 XLEZULUFYLFTMA-UHFFFAOYSA-N 440.736 -0.269 50 10 IBGE O=C(c1cc(B(O)O)ccc1F)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1447979944 FVZYQXNIPSJQBW-UHFFFAOYSA-N 427.185 -0.904 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 1463575680 YWUORBUXRYORHF-MOPGFXCFSA-N 439.520 -0.224 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1cccc(B(O)O)c1 1566281626 QLMGGOQSJXAWAW-UHFFFAOYSA-N 430.701 -0.401 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 25955489 KPSKFGOALVORSM-SNAWJCMRSA-N 434.478 -0.840 50 10 IBGE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(=O)n(C)c2)C1=O 1134416995 FKUMNQSLFOQGEZ-FQEVSTJZSA-N 427.417 -0.378 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 1461151503 UHUOUYJVSGOSIE-TZMCWYRMSA-N 427.479 -0.098 50 10 IBGE COc1cc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 765732996 ZKVDHRKLZDRYRP-UHFFFAOYSA-N 430.421 -0.779 50 10 IBGE CN(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 784976939 VSKAIKBBVVBYOG-UHFFFAOYSA-N 432.524 -0.486 50 10 IBGE O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[C@H]1CCc2nncn2C1 816886399 WOZDZMYWTMHIGO-QWHCGFSZSA-N 426.433 -0.188 50 10 IBGE COCCOCC(=O)NC1CCC(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)CC1 1303881788 OUKUFWIDBNCIDL-LEOMRAHMSA-N 440.541 -0.275 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3=NN(CCO)C(=O)CC3)cc2)CC1 1566549935 OGEVXBTXCASHPR-UHFFFAOYSA-N 438.510 -0.964 50 10 IBGE CN(C)N(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 792847982 BWLZXRIIVUNIPS-KSSFIOAISA-N 434.518 -0.046 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 794076062 LDFFNMSAPUWYLT-KRWDZBQOSA-N 447.492 -0.759 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCO1 1641521675 RBXNODQVPXVPIU-GDBMZVCRSA-N 441.506 -0.055 50 10 IBGE O=C(Cc1ccccn1)NNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 738475155 INLZLCQIMHWTNR-UHFFFAOYSA-N 426.481 -0.186 50 10 IBGE NS(=O)(=O)CCN1CCN(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 799985064 ORIDNBJHPMMFBN-HOTGVXAUSA-N 425.511 -0.794 50 10 IBGE O=C(NNC(=O)c1ccc(NCCN2CCOCC2)c(F)c1)N[C@H]1CCS(=O)(=O)C1 1597426405 RTXJYYBBJJUXFU-AWEZNQCLSA-N 443.501 -0.299 50 10 IBGE Cc1cc(C)cc(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729087 AUVZAZHATCSSQU-UHFFFAOYSA-N 428.449 -0.333 50 10 IBGE CSCCNC(=S)NNC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1151087180 XBAINCSZKQGDGU-UHFFFAOYSA-N 425.540 -0.421 50 10 IBGE COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)C(OC)OC)N(S(C)(=O)=O)CC2 1472478946 YWRUCVDUYAYNJS-CYBMUJFWSA-N 445.494 -0.281 50 10 IBGE COCC[C@@H](COC)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812574786 GILSQUYTIKFFPV-AWEZNQCLSA-N 430.531 -0.305 50 10 IBGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cccc(B(O)O)c3)cc2)CC1 1136575764 JIRVJJDHQUZWJC-UHFFFAOYSA-N 439.321 -0.118 50 10 IBGE Cn1cc(C(=O)NNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cn1 1293761320 PQQIAISKCBXDEW-XBFCOCLRSA-N 441.510 -0.149 50 10 IBGE C[C@H]1CCN(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1313367757 BMEDKDDZBRLYEI-HNNXBMFYSA-N 425.559 -0.014 50 10 IBGE CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1C[C@@H]1F)c(=O)n2Cc1ccccc1 1463947096 AFHNLIQKZDJRFZ-KGLIPLIRSA-N 428.424 -0.067 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCN(C(=O)CNC(C)=O)CC1 1654469212 QWCALBUPPIIDHR-UHFFFAOYSA-N 439.900 -0.220 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1156083710 PBNKWIXYTOPXCY-HUUCEWRRSA-N 439.513 -0.676 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 1630862252 CPJHTSJIVPGQPQ-UHFFFAOYSA-N 427.298 -0.444 50 10 IBGE COC(=O)CN(CCN1CCOCC1)CC(=O)NNC(=O)c1cc(Cl)ccc1OC 1641822217 HSMKDYLHYLDZOW-UHFFFAOYSA-N 442.900 -0.083 50 10 IBGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C)ccc1OC(C)=O 254844356 IZOCWYPSEJRWEJ-UHFFFAOYSA-N 443.424 -0.008 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[C@H]1Cc2ccccc2O1 743574662 WDPVZCLKNUKYCM-MRXNPFEDSA-N 435.462 -0.134 50 10 IBGE O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)[C@@H]1COCCO1 789309303 IXFZLRCFIFQADS-WBVHZDCISA-N 438.456 -0.411 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N[C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2282072852 AYIXJHIRTBCUDL-SFHVURJKSA-N 436.299 -0.431 50 10 IBGE O=C(NNC(=O)c1csc(N2CCOCC2)n1)NNC(=O)[C@H]1Cc2ccccc2O1 748341518 LOVWPMOYCKNHSF-CQSZACIVSA-N 432.462 -0.041 50 10 IBGE CC1=C(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)S(=O)(=O)CCO1 1295262017 YAONGZGLLMLJQX-UHFFFAOYSA-N 444.535 -0.258 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(=O)cc[nH]3)CC2)cc1 1445550643 KSCJVJWLXBEMHS-UHFFFAOYSA-N 433.490 -0.549 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(Cl)C2)[C@H]2CS(=O)(=O)C[C@@H]21 2265377067 KABKFXRENKRUOE-RYUDHWBXSA-N 429.948 -0.128 50 10 IBGE O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]2CC[C@H]1O2 1452932336 CXUFNJIJUSLOQY-VJQRDGCPSA-N 427.523 -0.189 50 10 IBGE NS(=O)(=O)CCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1465795647 JMPXVPQOIZMABF-UHFFFAOYSA-N 431.946 -0.326 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCS(=O)(=O)N(C)C)c1 1538388510 QUZVRLHDCYLBGN-UHFFFAOYSA-N 434.540 -0.240 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc(N3CCOCC3)n2)c1 1540291111 KMSGKACZFXXQLI-UHFFFAOYSA-N 434.478 -0.362 50 10 IBGE NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)NNC(=O)[C@@H]2COCCO2)c1 1566168781 SHACZOHILYMZHK-VIFPVBQESA-N 442.675 -0.074 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1587510788 HTFPVKGCVYTPHU-UHFFFAOYSA-N 428.442 -0.770 50 10 IBGE CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)[C@H]3CCN3C3CCOCC3)ccc21 1596923915 XQCKOOLQYKBGSO-LJQANCHMSA-N 443.504 -0.274 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1COCCO1 744644144 SNMGKDJSWGBYIL-STQMWFEESA-N 435.499 -0.212 50 10 IBGE O=C(COc1ccccc1CNC(=O)NNC(=O)[C@@H]1COCCO1)NC[C@@H]1CCCO1 745645589 BJYCDLOLACOSPJ-RDJZCZTQSA-N 436.465 -0.394 50 10 IBGE CCO[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCOC1 1472475361 WRTJDBNIGUEHPL-NVXWUHKLSA-N 441.506 -0.090 50 10 IBGE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c1 1540477529 MDXNFDFTWROBJY-UHFFFAOYSA-N 438.292 -0.639 50 10 IBGE CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)c1=O 1558458280 DWFJEZCDBRXIQO-KRWDZBQOSA-N 429.477 -0.416 50 10 IBGE COc1ccc(C(=O)N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)c(OC)c1OC 1587479279 KBLKHBDLRQFCEP-UHFFFAOYSA-N 428.250 -0.010 50 10 IBGE NC(=O)c1ccc(/C=C/C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 1587969015 TVMWFVVZYPATSE-VQHVLOKHSA-N 425.445 -0.003 50 10 IBGE O=C(NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1COCCO1 781994281 LUMWWAMCQOVPBX-UBHSHLNASA-N 433.870 -0.973 50 10 IBGE CN(C)N(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 792847966 BWLZXRIIVUNIPS-KBXCAEBGSA-N 434.518 -0.046 50 10 IBGE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 805044233 JFUUHEJPTMZACG-LLVKDONJSA-N 432.528 -0.921 50 10 IBGE CCN(CCO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1299916944 NGRBUOHMMDTHDM-UHFFFAOYSA-N 430.502 -0.216 50 10 IBGE Cn1nc(B(O)O)c(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)n1 2247893454 SALVNIPXXHPFTK-UHFFFAOYSA-N 431.258 -0.312 50 10 IBGE CCO[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCOC1 1638390422 XOBKWQFBKMEMPV-ZBFHGGJFSA-N 427.527 -0.098 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccncc1B(O)O 2247733805 DBJANHJAFKPMPE-UHFFFAOYSA-N 438.290 -0.091 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 744652155 DEUQGBJBBSCIQY-OAHLLOKOSA-N 433.433 -0.072 50 10 IBGE COc1ccc(NC(=S)NNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)cc1F 1448580373 XXLZMSFQQZPWKF-UHFFFAOYSA-N 449.530 -0.014 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1557664076 LGWKXXSLWACJEB-ZIAGYGMSSA-N 428.536 -0.179 50 10 IBGE CC(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1596693426 XZHOVBVDPDIKJQ-INIZCTEOSA-N 447.583 -0.360 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CC[C@H]4CN(C)C[C@H]43)nc2)CC1 1639063313 MMOCFPQRWIZKOQ-USXIJHARSA-N 437.570 -0.016 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 745981437 UZZOZNUVROQLGG-CYBMUJFWSA-N 433.870 -0.463 50 10 IBGE CN(CCCC(=O)NNC(=O)[C@H]1CCc2nncn2C1)C1=NS(=O)(=O)c2ccccc21 816871592 NPTSKQKWZKNVSR-ZDUSSCGKSA-N 445.505 -0.151 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCS(=O)(=O)N(C)C)cc2)CC1 1137651776 QFJYZLSAODXKNF-UHFFFAOYSA-N 433.556 -0.653 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCc1cccc(B(O)O)c1 2178298175 SDMTVNBWFFNWLJ-UHFFFAOYSA-N 430.291 -0.095 50 10 IBGE Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=Cc1ccccc1[N+](=O)[O-] 254292217 FEZUCQDBEKCSAG-UHFFFAOYSA-N 442.396 -0.263 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2)C[C@@H](C)O1 744649785 MTNGZZWHDQDKRZ-ZENOOKHLSA-N 427.479 -0.339 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@H]1CCNC1=O 1524056834 RVULDXVSZSYHAN-OAHLLOKOSA-N 438.506 -0.686 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)CC2=O)cn1 1525085946 ALFGTTUTHHQSDB-AWEZNQCLSA-N 449.489 -0.253 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3CC4(C3)CS(=O)(=O)C4)cc2)CC1 1623404842 ZCTPTQZUGJLZGH-UHFFFAOYSA-N 442.563 -0.109 50 10 IBGE COC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(OC)c1 757173923 YBHFNQNZBYLARP-OLZOCXBDSA-N 425.463 -0.040 50 10 IBGE COc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC(C)C)c1 789812565 CQPDJSATLJSWJE-UHFFFAOYSA-N 444.448 -0.309 50 10 IBGE O=C(CN1CCCCS1(=O)=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1355621725 ORKZOGBRDJMESH-UHFFFAOYSA-N 444.535 -0.342 50 10 IBGE CCn1cc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1566278965 XWMXWUSPENGHNW-UHFFFAOYSA-N 435.510 -0.626 50 10 IBGE Cc1[nH]nc(I)c1C(=O)NNC(=O)CNC(=O)c1cccnc1 1611015109 GBXXNEMHCNLHTC-UHFFFAOYSA-N 428.190 -0.091 50 10 IBGE Cc1[nH]nc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1I 1625567183 DDUNXIAAKXGHRJ-ZCFIWIBFSA-N 427.224 -0.546 50 10 IBGE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B(O)O 2282849502 CAWUVANVSRGUGX-GXSJLCMTSA-N 437.374 -0.407 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccn(Cc3ccccc3)n2)n(C)c1=O 773388381 CUESVJFJBCDEDR-UHFFFAOYSA-N 436.432 -0.860 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1302575451 JKCPTMFOEFAHJO-UHFFFAOYSA-N 428.442 -0.770 50 10 IBGE O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)[C@@H]1C(=O)Nc2ccccc2C1=O 1556766905 XROZJDAZBMPGSM-YWVKMMECSA-N 433.364 -0.192 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CCN1C(=O)CCNC1=S 1618105723 NIJXJWWOTROSRN-UHFFFAOYSA-N 432.550 -0.157 50 10 IBGE O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)[C@@H]1Cc2ccccc2O1 732244072 AMHKCHQXCPZORN-HOCLYGCPSA-N 426.495 -0.191 50 10 IBGE O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@H]1CCC(=O)N1 1168008918 HZLODCROGDELMK-SNVBAGLBSA-N 430.202 -0.553 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1296988607 WEYWKEVIXUAZGN-QLFBSQMISA-N 429.543 -0.916 50 10 IBGE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 728951502 DLEZCRIYOVJOJP-QAPCUYQASA-N 433.509 -0.110 50 10 IBGE C[C@H]1CCCN1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 769863823 YEYQETAZIBLBAK-ZDUSSCGKSA-N 432.524 -0.329 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/Cn3cncn3)CC2)cc1 1137298841 DGASWRGEPMFCRV-NSCUHMNNSA-N 447.521 -0.703 50 10 IBGE O=C(Cc1ccncc1)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1312829523 FYYZQSBXKHUPIE-UHFFFAOYSA-N 447.473 -0.201 50 10 IBGE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1634398893 AVFAGALTONBBOB-OAHLLOKOSA-N 434.540 -0.276 50 10 IBGE O=C(CN1CCCc2ccccc21)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746386933 XRGBCWJYNCDWDC-GOSISDBHSA-N 429.521 -0.233 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CN(S(C)(=O)=O)C2)c1 1538388364 LAGRNLMFSPANEM-UHFFFAOYSA-N 432.524 -0.631 50 10 IBGE CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1684295148 MELAFRDHZXMYIB-LBPRGKRZSA-N 427.483 -0.177 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2ccc(B(O)O)s2)C1 2267205122 OEVPGGHNABQGAN-CQSZACIVSA-N 440.308 -0.256 50 10 IBGE CN1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1=O 739052936 ZTINQTPILWFXLI-AWEZNQCLSA-N 439.494 -0.728 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@H]3CC(=O)N(C)C3)nc2)CC1 1255498961 PMSLMNDXTYGBNR-AWEZNQCLSA-N 439.542 -0.488 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCC3(C2)OCCO3)c1 1313326847 VIEJAHCUOCRGEC-UHFFFAOYSA-N 441.510 -0.670 50 10 IBGE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1478951431 XICVBAOWPQGTMH-IRXDYDNUSA-N 439.538 -0.659 50 10 IBGE CCn1c(C)nc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 15348266 XMSHVKISZDGCLS-UHFFFAOYSA-N 438.448 -0.427 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(=O)c2ccc(F)cc2F)n(C)c1=O 765726923 HQOZAWRPCIJEQP-UHFFFAOYSA-N 448.386 -0.478 50 10 IBGE Cc1nnc(CN(C)CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1C 766653301 SEMMOMKSUHYXOD-UHFFFAOYSA-N 442.524 -0.839 50 10 IBGE C[C@@]1(CCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)NC(=O)NC1=O 1445562924 AFMWAQSRLOSJMS-NRFANRHFSA-N 444.492 -0.640 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CCOCC3)cc2)CC1 1583257525 OBPYKARLEFNQAU-UHFFFAOYSA-N 438.506 -0.273 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3COCCO3)cc2)C[C@@H](C)O1 744649778 MTNGZZWHDQDKRZ-DVOMOZLQSA-N 427.479 -0.339 50 10 IBGE CNC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1C 767848596 CFVZVSOGZFIZNV-UHFFFAOYSA-N 443.345 -0.627 50 10 IBGE CC[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OC)cc1 775780079 CQZCOHQEZCBJSZ-AWEZNQCLSA-N 428.449 -0.217 50 10 IBGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NNC(=O)[C@H]1COCCO1 745998318 JGMODSWFZXNVAS-JOYOIKCWSA-N 431.243 -0.007 50 10 IBGE C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 790471150 FRVNOYZZOXBRIR-HXUWFJFHSA-N 448.501 -0.155 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@@]3(C)CCC(=O)N3)nc2)CC1 1229691781 VQAUIAMQLAJPNX-QGZVFWFLSA-N 425.515 -0.688 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc2)C[C@@H](C)O1 1557735347 WSSHEHZDKPTTME-TXEJJXNPSA-N 433.508 -0.710 50 10 IBGE COC(=O)c1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1C 1558940053 CLLDULFWMVDLRI-UHFFFAOYSA-N 436.494 -0.100 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 1654295113 VUSUEXUXRHROCT-GMSGAONNSA-N 433.284 -0.040 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2187584369 OSFJXXBXLHQYQB-FVCCEPFGSA-N 425.935 -0.533 50 10 IBGE O=C(NNC(=O)c1cc(B(O)O)ccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1 1540250505 KRMACCRPKWTHNA-UHFFFAOYSA-N 449.269 -0.245 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1682173843 IMWWROXBKIBLQN-GFCCVEGCSA-N 430.483 -0.550 50 10 IBGE CCN1C[C@@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1=O 1682560062 KQDIUCGGEVOZKW-ZDUSSCGKSA-N 425.515 -0.735 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)N1 1438033728 BAXFLWXZEOOLQW-SNVBAGLBSA-N 440.386 -0.215 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N1 1588263152 SNAFSGJYJUSNBT-ZDUSSCGKSA-N 430.870 -0.600 50 10 IBGE CS(=O)(=O)CC1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)COC1 1634404278 RYANEWICXKAGBN-UHFFFAOYSA-N 433.508 -0.788 50 10 IBGE COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 1641727571 HAYJRZDOLLKINI-GOSISDBHSA-N 433.553 -0.156 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)/C(C#N)=C/c1ccc(Br)cc1 1866367716 IOYPWXWQBPDJIE-RNBFINMCSA-N 429.267 -0.750 50 10 IBGE CC(C)(C)OC(=O)N[C@@H](CO)CNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282355834 LRZKLBOGMRTQOM-SECBINFHSA-N 443.114 -0.163 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2ccc(B(O)O)cc2)C1 2282712809 WBRHXHZSYLYTEN-KRWDZBQOSA-N 434.279 -0.318 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324504844 IOYPWXWQBPDJIE-YHUYYLMFSA-N 429.267 -0.750 50 10 IBGE O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cc(B(O)O)ccc1F 1136274739 JQKXHPZMIBUVIH-OAHLLOKOSA-N 436.270 -0.107 50 10 IBGE O=C(CN1CCCC2(CC2)S1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 1628174385 AOFLOBWCWFJZDI-UHFFFAOYSA-N 429.524 -0.301 50 10 IBGE CN(C)N(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1298901413 VEHADCLVCZXGRP-STQMWFEESA-N 441.572 -0.193 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccnc2N2CCCCC2)n(C)c1=O 766635513 DRWPCDHSMRJEFD-UHFFFAOYSA-N 440.464 -0.720 50 10 IBGE O=C(NNC(=O)c1cn2c(n1)COCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1608470067 PNLIFZORSJMTSL-UHFFFAOYSA-N 435.462 -0.491 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H]1COCCO1 744642647 KTWJSFWUMKRPQV-LSDHHAIUSA-N 431.536 -0.042 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2CCS(=O)(=O)CC2)CC1 1306648283 MMFLYBDMJXYYGV-UHFFFAOYSA-N 431.540 -0.714 50 10 IBGE O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1cc(B(O)O)ccc1F 1624250630 FJTMHGJJPHWMMU-UHFFFAOYSA-N 436.226 -0.920 50 10 IBGE COCCN1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 732463760 QXVXVJZZYRUFOQ-OAHLLOKOSA-N 427.527 -0.008 50 10 IBGE CCc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C 754450755 MHRALKUOAZHCTF-BETUJISGSA-N 446.508 -0.545 50 10 IBGE C[C@H](CC(=O)NNC(=O)[C@H]1CCN1C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1156183931 IMKWJZYJRWMPKX-CZUORRHYSA-N 449.533 -0.096 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c2)C[C@@H](C)O1 1301697733 PGBJLLZRGWGLQO-VXGBXAGGSA-N 433.508 -0.710 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\c3cn(C)cn3)CC2)cc1 1587963935 NGRLERKKXANDGJ-YVMONPNESA-N 446.533 -0.104 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)[C@H]1CCS(=O)(=O)N1 1631014621 KNOHKJCOQCXNMA-OAHLLOKOSA-N 429.930 -0.703 50 10 IBGE NC(=O)NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NNC(N)=O)cc2)cc1 104827008 FZCXMCKPFMMTAS-UHFFFAOYSA-N 444.451 -0.798 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)[C@H]1COCCO1 744642756 CZIBDRJEJHLTHR-SSDOTTSWSA-N 428.286 -0.648 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C3CCOCC3)c2)CC1 1288225922 BKVDMVUMTWZHBQ-UHFFFAOYSA-N 438.506 -0.273 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](NC=O)C(C)C)CC2)cc1 1587963884 LQCWOVMUCQRDMD-SFHVURJKSA-N 439.538 -0.781 50 10 IBGE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1646043861 FXHJOEZBVHMUGH-GUYCJALGSA-N 440.522 -0.640 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cnc(B(O)O)s1 2108234133 MILANFGNEXWZKP-INIZCTEOSA-N 441.271 -0.733 50 10 IBGE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)COC1 2267622871 BOQXQJASQROHAE-UHFFFAOYSA-N 426.709 -0.347 50 10 IBGE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2cc(B(O)O)cs2)s[nH]1 2282072491 FWRSVOKXCKYVBI-UHFFFAOYSA-N 434.330 -0.431 50 10 IBGE CC(C)(C)OC(=O)N[C@H](CO)CNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282355835 LRZKLBOGMRTQOM-VIFPVBQESA-N 443.114 -0.163 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282372643 ZJINGKYXVYJVRM-RKDXNWHRSA-N 440.736 -0.270 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)OCCCO3)n(C)c1=O 765726692 FEWCKCXPBSPKAV-UHFFFAOYSA-N 428.405 -0.944 50 10 IBGE COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NNC(=O)[C@@H]1COCCO1 811687312 NVACHMQAGARQEY-NSHDSACASA-N 437.268 -0.111 50 10 IBGE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)COc1ccc(Br)cc1 1478950876 MISDDLPZBAMIQI-VXGBXAGGSA-N 436.284 -0.030 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)CC2)cn1C 1644572525 YOYCKLPOAPEFTG-RBSFLKMASA-N 425.511 -0.156 50 10 IBGE CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)[C@@H]3COCCO3)c2)CC1 756213149 SZAJSAVJSWSMBL-HNNXBMFYSA-N 427.483 -0.809 50 10 IBGE CN(C)S(=O)(=O)c1ccc(NNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cc1 1141349878 LQDYUMIKTZZGHM-UHFFFAOYSA-N 427.508 -0.102 50 10 IBGE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1646043863 FXHJOEZBVHMUGH-SUMWQHHRSA-N 440.522 -0.640 50 10 IBGE Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)ccc1=O 1653053333 BRNZAIHFDCTUCC-CQSZACIVSA-N 435.481 -0.090 50 10 IBGE O=C(NNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N[C@H]1CCS(=O)(=O)C1 1292039173 UWBRSEUDBRJNFU-HIFRSBDPSA-N 426.470 -0.266 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ncccc1B(O)O 2247866983 WCHGWTRCTSAWBC-UHFFFAOYSA-N 438.290 -0.091 50 10 IBGE O=C(NNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1COCCO1 746003263 OSZPXLRUYVBGMG-OAHLLOKOSA-N 430.458 -0.275 50 10 IBGE CO[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCOC1 1306201147 ZXPJVRXMRLHLRO-ZBFHGGJFSA-N 427.479 -0.480 50 10 IBGE O=C(NNC(=O)c1cnc2cccnn12)c1cccc(S(=O)(=O)N2CCOCC2)c1 1648393809 YTGZAKBYCPVZQU-UHFFFAOYSA-N 430.446 -0.175 50 10 IBGE O=C(NNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 1292039172 UWBRSEUDBRJNFU-DZGCQCFKSA-N 426.470 -0.266 50 10 IBGE Cc1cc(CC(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n[nH]1 1639987919 GHCAHFPNYOCQDQ-UHFFFAOYSA-N 425.442 -0.118 50 10 IBGE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O)NC(=O)OC(C)(C)C 2282743517 PYYDICCGNOXSKO-UAXLGHPASA-N 441.362 -0.336 50 10 IBGE O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@H]1COCCO1 744649024 JWXKMCXEZVAKPB-GFCCVEGCSA-N 436.284 -0.320 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)N2CCN(C)CC2)cc1 1676866959 XQPGSNAGAYZZKU-INIZCTEOSA-N 440.570 -0.418 50 10 IBGE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282354713 USFXTVHOZACSAT-UHFFFAOYSA-N 440.736 -0.222 50 10 IBGE COCCn1cc(C=NNc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cn1 1084431038 PSJLXKZAJHJCGY-UHFFFAOYSA-N 435.392 -0.105 50 10 IBGE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1135417288 XZUIPCZFPKNBDK-FZMZJTMJSA-N 425.511 -0.204 50 10 IBGE Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Br)c1 755177994 FAGHOAQPOJKZCI-UHFFFAOYSA-N 449.265 -0.034 50 10 IBGE Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2)cn1C 765731442 IPCQLODIARKAJX-MRXNPFEDSA-N 448.505 -0.221 50 10 IBGE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 806037247 RIJZIYUKVDAREN-IUODEOHRSA-N 427.483 -0.572 50 10 IBGE O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1456041410 ZEGYRCIIFIVPPF-KRWDZBQOSA-N 425.507 -0.604 50 10 IBGE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 1631773204 RZYNREYUGFNJRS-NSHDSACASA-N 432.362 -0.516 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@H]1COCCO1 744642646 KTWJSFWUMKRPQV-HUUCEWRRSA-N 431.536 -0.042 50 10 IBGE Cc1ncsc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 765757623 XFFGVHBVQRCICP-UHFFFAOYSA-N 427.512 -0.146 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 766661884 ZUTVWGXABCZKGX-UHFFFAOYSA-N 436.860 -0.195 50 10 IBGE CCOc1ccccc1[C@](N)(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(F)(F)F 787996357 XRULFITVTXVOAM-XPTSAGLGSA-N 426.417 -0.113 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC 796130487 YVVLRSOWFAGXDB-AWEZNQCLSA-N 428.511 -0.179 50 10 IBGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)c1 1456032718 WIWDGEKMEZABSI-KRWDZBQOSA-N 438.506 -0.432 50 10 IBGE O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1=CCS(=O)(=O)C1 1540250673 RDXZYTAFWYMVNZ-UHFFFAOYSA-N 427.504 -0.023 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2n(n1)CCC[C@@H]2O 1622153410 FJVQPDREBLZSKM-SFHVURJKSA-N 426.477 -0.071 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2)C[C@@H](C)O1 744649780 MTNGZZWHDQDKRZ-IOASZLSFSA-N 427.479 -0.339 50 10 IBGE COc1cccc2c1[C@H](C(=O)NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 815826917 FORKQSSTUXVHKQ-GFCCVEGCSA-N 426.433 -0.680 50 10 IBGE C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C[C@@H](C)O1 1472475895 MUOYCKKZFGONJC-QLFBSQMISA-N 441.529 -0.289 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 1641668061 ZIGRVLBVAPJPDD-IFFSRLJSSA-N 425.385 -0.836 50 10 IBGE CON1CCC(NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 1673755018 NFFURMNDGUZWBN-UHFFFAOYSA-N 427.531 -0.330 50 10 IBGE O=C(CN1CCN(CCCI)CC1)N[C@@H]1CCS(=O)(=O)C1 781337026 SPCZDECFJVAEON-GFCCVEGCSA-N 429.324 -0.268 50 10 IBGE CN1C(=O)[C@H](O)[C@H](C(=O)NNC(=O)c2cc(Br)cn2C)[C@H]1c1cnn(C)c1 1587536186 XVTLZAHCFHLSCH-JHJVBQTASA-N 439.270 -0.528 50 10 IBGE CC(=O)N1CSC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215864 KPFQZMCNJBDHJN-INIZCTEOSA-N 427.552 -0.013 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cnc2n1CCC2 783529963 QCFYMGMNQLIUKR-UHFFFAOYSA-N 432.506 -0.403 50 10 IBGE Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1S(=O)(=O)N1CCOCC1 816875983 MPFLPUDZALQRHZ-OAHLLOKOSA-N 448.505 -0.369 50 10 IBGE CO[C@]1(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CCS(=O)(=O)C1 1446387166 PKTBZXPMUJZSMO-QGZVFWFLSA-N 446.551 -0.731 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)N1 1588263470 WUWKNKVSHWSMFN-LLVKDONJSA-N 429.886 -0.438 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3COCCO3)c2)C[C@@H](C)O1 744643740 RNAXLSKXFSGRBW-IOASZLSFSA-N 427.479 -0.339 50 10 IBGE O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1 913053257 DSWJMUWKHINTJK-UHFFFAOYSA-N 445.929 -0.704 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1478944760 HYCMNZPPLCFLTQ-AWEZNQCLSA-N 428.511 -0.197 50 10 IBGE O=C(N/N=C(\c1nc2ccccc2[nH]c1=O)[C@@H](O)[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 15774942 OLQGMYJHLBYMKJ-VYLYWJMISA-N 427.373 -0.321 50 10 IBGE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728951268 FLMWHEGXKKGTMD-AWEZNQCLSA-N 434.497 -0.185 50 10 IBGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NNC(=O)[C@@H]1COCCO1 745998316 JGMODSWFZXNVAS-CABZTGNLSA-N 431.243 -0.007 50 10 IBGE COCCCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765726682 DXXFLAMOZYSPFK-UHFFFAOYSA-N 444.448 -0.690 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCN(c3ccccc3F)C2)n(C)c1=O 810591236 AZKWULMXXRHDEQ-GFCCVEGCSA-N 443.439 -0.753 50 10 IBGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)cc1 1618537383 YHDUMNILCSKKHF-FCRVUTKVSA-N 445.476 -0.076 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c1 1686893351 NURATVRGYIZQJU-CYBMUJFWSA-N 425.467 -0.136 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@@H](O)C1 2282731504 RHDIBOWWGFDLRX-VIFPVBQESA-N 440.736 -0.316 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCc2nnnn2CC1 1137298753 AODBVKALBXTOBW-OAHLLOKOSA-N 426.481 -0.769 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[C@@]2(O)CCCOC2)cc1 1252532597 VDFRKBCSQQHFQO-SFHVURJKSA-N 428.511 -0.122 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 1629792991 JZPSLTDFDMKYLW-IAGOWNOFSA-N 427.465 -0.807 50 10 IBGE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)Cc1ccsc1B(O)O 2267379877 WQHIFQGIGAZGIL-VWLOTQADSA-N 426.347 -0.120 50 10 IBGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCNC(=O)CSS(=O)(=O)O 214717040 YWRWNTLTZZIITF-NRUUGDAUSA-N 440.569 -0.519 50 10 IBGE O=C(NNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1COCCO1 746003261 OSZPXLRUYVBGMG-HNNXBMFYSA-N 430.458 -0.275 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccc3c(c2)OCO3)n(C)c1=O 765729858 IFFSNJXNRUHFIH-XQRVVYSFSA-N 426.389 -0.977 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1303881513 MCJAFGMFDGKGLF-KRWDZBQOSA-N 438.506 -0.432 50 10 IBGE O=C(CCC(=O)N1CCC(O)CC1)NNc1ccccc1S(=O)(=O)N1CCOCC1 1444718168 ODFLLHCUPFWKLB-UHFFFAOYSA-N 440.522 -0.086 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C(=O)C1 1471976904 BBZDWGURYQNPQN-HNNXBMFYSA-N 439.513 -0.534 50 10 IBGE C[C@@H](C(=O)N(C)CC(=O)N1CCN(S(=O)(=O)CBr)CC1)n1cccn1 1566973350 FEMIAPRPOFVVLG-LBPRGKRZSA-N 436.332 -0.271 50 10 IBGE C[C@@H](CO)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1570739060 YFOBENVHLCNFFJ-AWEZNQCLSA-N 430.502 -0.217 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)N2CCN(C)CC2)cc1 1676866960 XQPGSNAGAYZZKU-MRXNPFEDSA-N 440.570 -0.418 50 10 IBGE C[C@H](CCc1ccccc1F)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728920 ALHALXFPFLRGDO-GFCCVEGCSA-N 430.440 -0.011 50 10 IBGE O=C(NNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N[C@@H]1CCS(=O)(=O)C1 1292039174 UWBRSEUDBRJNFU-UKRRQHHQSA-N 426.470 -0.266 50 10 IBGE Cn1cnc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1478784696 SWKWOVZHCRAYRM-UHFFFAOYSA-N 436.494 -0.372 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)NCCNC(=O)c1ccc(Br)cn1 1565059105 KTDIQCJRLJXBMH-SNVBAGLBSA-N 432.275 -0.044 50 10 IBGE O=C(CCN1C(=O)COc2cc(Br)ccc21)NNC(=O)[C@@H]1CCC(=O)N1 1587115741 ZSXBAKLXOYZKLV-JTQLQIEISA-N 425.239 -0.009 50 10 IBGE O=C(NNC(=O)N1CCOCC1)c1ccc(I)cc1-n1cnnn1 1598014360 UTTGOBAIWOSLKC-UHFFFAOYSA-N 443.205 -0.047 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1290349089 MBEDKWYVHDLUMQ-FHSNZYRGSA-N 431.511 -0.158 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@]2(c3ccccc3)C[C@@H](F)C2)n(C)c1=O 1294587660 HVRILZXZIVOFPM-UWELNFAVSA-N 428.424 -0.349 50 10 IBGE CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@]3(C)C[C@H]3Br)CC2)CC1 1313064718 VKQSESSGBZIRPY-HIFRSBDPSA-N 438.392 -0.021 50 10 IBGE O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]2CC[C@H]1O2 1452932340 CXUFNJIJUSLOQY-XBORSJSESA-N 427.523 -0.189 50 10 IBGE CS(=O)(=O)c1cccnc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1546251456 ASQBGWQLMZDAIB-UHFFFAOYSA-N 426.314 -0.075 50 10 IBGE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)CI)C1 1910136900 WAZUAMBUXUHAQI-RITPCOANSA-N 443.185 -0.437 50 10 IBGE Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(B(O)O)c1Cl 2282261675 CWTFGUMJJRLMFI-CHWSQXEVSA-N 436.661 -0.433 50 10 IBGE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2sccc2B(O)O)s[nH]1 2282703386 VUIKZFOCKDTVQK-UHFFFAOYSA-N 434.330 -0.431 50 10 IBGE CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)N(C)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 31460096 RONDBEFCNSGQHT-RYPNDVFKSA-N 433.370 -0.608 50 10 IBGE Cn1ccnc1CN1CCC[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 782998406 GSTMMWBRVKGSHZ-LBPRGKRZSA-N 433.494 -0.267 50 10 IBGE CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccc(Br)cc2)CC1 1318215373 GBTADONWJYYSMO-UHFFFAOYSA-N 448.343 -0.030 50 10 IBGE C[C@@H](CC(=O)NNC(=O)c1ccc(=O)n(C)c1)NS(=O)(=O)c1cccnc1Cl 1472185835 BZWLGQDKUQFUIF-JTQLQIEISA-N 427.870 -0.048 50 10 IBGE Nc1nonc1C(=O)NN=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 1565517918 XYSZHSFJBPJWBK-UHFFFAOYSA-N 446.424 -0.003 50 10 IBGE C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1611085812 HBICCSRMKCMELW-DZGCQCFKSA-N 440.522 -0.041 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2243425007 BZROFGZQQDBTHD-UHFFFAOYSA-N 438.315 -0.185 50 10 IBGE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2339943297 NQSWECQLTOCGAX-QMMMGPOBSA-N 428.725 -0.101 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1440708789 HKSAHNUOTNWGIY-JTQLQIEISA-N 428.218 -0.126 50 10 IBGE O=C(CCC(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCC(O)CC1 1466474227 JXOUYLFVRVXIEM-UHFFFAOYSA-N 426.333 -0.424 50 10 IBGE CN(C)N(C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1625795411 PZNCJJFFFFASRS-GJZGRUSLSA-N 428.486 -0.779 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCC4(C3)OCCO4)nc2)CC1 1671045963 MDEBMNUXZZPUAI-CQSZACIVSA-N 440.526 -0.061 50 10 IBGE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 771258635 XWSUKMOEQCEQJK-HXUWFJFHSA-N 431.449 -0.460 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCN(CCC(F)(F)F)CC2)n(C)c1=O 779775831 BVJFDDJQLCBZAT-UHFFFAOYSA-N 429.403 -0.046 50 10 IBGE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 1301697219 KRGOBPXLKLHJIT-FPAJZGIOSA-N 449.576 -0.110 50 10 IBGE CCO[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCOC1 1472475360 WRTJDBNIGUEHPL-DOTOQJQBSA-N 441.506 -0.090 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)Cc1ncsc1B(O)O)C(F)(F)F 2282739277 HCVFWAWCAGOPCI-MRVPVSSYSA-N 433.239 -0.302 50 10 IBGE Cc1nc(S(=O)(=O)N(C)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c(B(O)O)n1C 2282858165 SJQFWOVLSQDJIJ-OAHLLOKOSA-N 436.299 -0.560 50 10 IBGE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1456039839 UVISPTNBWBPLAO-ZIAGYGMSSA-N 428.486 -0.157 50 10 IBGE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267391336 PKFXKVQXAFLVGG-MRVPVSSYSA-N 428.725 -0.413 50 10 IBGE CN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287309848 XSEVFVRKIVOFFK-NWDGAFQWSA-N 425.935 -0.579 50 10 IBGE O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)CN1CCCC1=O 1454880600 SFVGBXYEKSZJEI-UHFFFAOYSA-N 425.463 -0.219 50 10 IBGE CO[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H]1CCOC1 1682629318 GYCSHRCAZKOZET-GOEBONIOSA-N 428.511 -0.003 50 10 IBGE CC(C)Cn1[nH]c(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1=O 1465792228 WNYIEXDZKJVRAV-UHFFFAOYSA-N 442.520 -0.020 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)COB4O)cc2)CC1 1630968050 WUGWDSPJXLVRGQ-UHFFFAOYSA-N 430.295 -0.403 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCc1ccc(B(O)O)cc1 2178258251 UOMNAKIGBBEJEI-UHFFFAOYSA-N 430.291 -0.095 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282357514 KUCLDXQDYJOAME-CQSZACIVSA-N 440.736 -0.269 50 10 IBGE COC(=O)c1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n(C)n1 1149623480 ZLZKGGWYJOKPEG-UHFFFAOYSA-N 428.449 -0.574 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(B(O)O)cc2)C1 1154555947 GYXBWLQNJGHWIU-OAHLLOKOSA-N 426.300 -0.480 50 10 IBGE Cc1c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1N(C)C 757913307 KVXYDTVIBLTLCP-UHFFFAOYSA-N 428.453 -0.339 50 10 IBGE O=C(CN(CC(=O)NNC(=O)[C@H]1CCCO1)c1ccccc1)NNC(=O)[C@H]1CCCO1 817214547 WVKKIBLWMOUJAM-HZPDHXFCSA-N 433.465 -0.854 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)OCC(F)(F)F)c1 1641440010 SMKICPBQMCMKFR-UHFFFAOYSA-N 426.373 -0.014 50 10 IBGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1COCCO1 745978240 GUXFZHKLOZYYNM-LLVKDONJSA-N 447.413 -0.748 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3CCCCO3)c2)CC1 1129265108 CHSLZMOWEYTKQT-KRWDZBQOSA-N 438.506 -0.131 50 10 IBGE C[C@@H]1[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 1313317032 VKEFZMBVXPFCDF-CJNGLKHVSA-N 425.511 -0.256 50 10 IBGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc2)C[C@@H](C)O1 1557735421 WSSHEHZDKPTTME-VXGBXAGGSA-N 433.508 -0.710 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3=NN(CCO)C(=O)CC3)CC2)cc1 1622153396 DUBXMGGMUSBMOX-UHFFFAOYSA-N 430.509 -0.769 50 10 IBGE COc1cc(I)ccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 1648534755 RXWIJXYNEBPQLJ-SSDOTTSWSA-N 441.247 -0.002 50 10 IBGE Cn1cc(C(=O)NNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1=O 1685941262 NLSZBRLVPHCLBJ-ROUUACIJSA-N 438.488 -0.072 50 10 IBGE Cn1cc(B(O)O)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2255692790 WZIDITDKMPTIIL-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE CCc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1S(=O)(=O)N1CCOCC1 744648915 IHPTZAUNDLYAGI-HNNXBMFYSA-N 427.479 -0.554 50 10 IBGE COc1ccc(C[C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 759607087 GFPISRWWHZBMIB-GFCCVEGCSA-N 428.449 -0.532 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1(N2CCOCC2)CCC1 782737139 QJIRQBBFJAWZQE-UHFFFAOYSA-N 429.521 -0.153 50 10 IBGE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1596693427 XZHOVBVDPDIKJQ-MRXNPFEDSA-N 447.583 -0.360 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccccc1B(O)O 2164490806 DIDJTQKSHRDHRC-LJQANCHMSA-N 434.254 -0.190 50 10 IBGE COc1ccc(CC(=O)NNC(=O)c2ccnnc2)cc1S(=O)(=O)N1CCOCC1 1142447393 PINFCFVUSVRXPE-UHFFFAOYSA-N 435.462 -0.490 50 10 IBGE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446928432 LJKVLOXOBFHPIW-WCQYABFASA-N 440.360 -0.131 50 10 IBGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 765732430 UJAMXOXLWFBGOU-UHFFFAOYSA-N 440.460 -0.139 50 10 IBGE COc1cccc(C2(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 802762314 BDQCTSHRZCJRLR-UHFFFAOYSA-N 426.433 -0.679 50 10 IBGE CC1=C(C)C(=O)N(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1=O 1294587304 BQKYFEOJAJREDA-UHFFFAOYSA-N 441.488 -0.313 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)cn1 1360199214 UOXSJQBHSHAPTH-GFCCVEGCSA-N 434.478 -0.479 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c1 1686893352 NURATVRGYIZQJU-ZDUSSCGKSA-N 425.467 -0.136 50 10 IBGE COC(=O)c1cccn(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1=O 1349691969 HANMZQLMNYYAEJ-UHFFFAOYSA-N 441.488 -0.005 50 10 IBGE O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)c1csc(N2CCOCC2)n1 1440328356 ABNLLUINFHZYFF-RKDXNWHRSA-N 442.441 -0.036 50 10 IBGE COC(=O)c1ncoc1CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1587969026 TWIPSFMMWRZPCO-UHFFFAOYSA-N 443.460 -0.001 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ncsc1B(O)O 2243407882 BKFDNJXJHWJQKC-UHFFFAOYSA-N 444.319 -0.029 50 10 IBGE CCN(CC)Cc1c(C(=O)NN/C=C2\C=CC(=O)C([N+](=O)[O-])=C2)nnn1-c1nonc1N 38172626 BHBXKHLSQDPKHN-CSKARUKUSA-N 444.412 -0.508 50 10 IBGE C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C[C@H](C)O1 768684728 BQNZVXXRGIMUGA-STQMWFEESA-N 428.511 -0.097 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NN=C2C(=O)Nc3cccc(C(F)(F)F)c32)n(C)c1=O 800814100 IBOORYCUEGOKQD-UHFFFAOYSA-N 449.349 -0.075 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCS(=O)(=O)N(C)C)CC2)cc1 1545424206 QCOMGUIAKRFLMB-UHFFFAOYSA-N 425.555 -0.458 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)N1CCCC1 1685419497 WGWGQOVOUWHEOQ-UHFFFAOYSA-N 446.555 -0.342 50 10 IBGE COC(=O)[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC12CN(C(=O)OC(C)(C)C)C2 1456299144 YSVMMIYCNHLELC-CQSZACIVSA-N 436.245 -0.012 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2187578322 OSFJXXBXLHQYQB-QNWHQSFQSA-N 425.935 -0.533 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n(C)c1=O 765733015 ZOUTYDRGOWYWGC-PWSUYJOCSA-N 432.387 -0.337 50 10 IBGE O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1306200457 MHSGGDFVVLAZIB-CQSZACIVSA-N 431.492 -0.954 50 10 IBGE CO[C@@]1(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CCS(=O)(=O)C1 1446387160 PKTBZXPMUJZSMO-KRWDZBQOSA-N 446.551 -0.731 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@]34CCCN(CC3)C4)CC2)cc1 1566278995 ZIEQZAVHBXLPCC-NRFANRHFSA-N 449.577 -0.065 50 10 IBGE C[C@H](CO)N(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1570739061 YFOBENVHLCNFFJ-CQSZACIVSA-N 430.502 -0.217 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COCC(=O)OC(C)(C)C)CC1 1650834055 SNSXKGGIPZMHMY-UHFFFAOYSA-N 443.526 -0.181 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cccc(B(O)O)c1 2164487064 JANCOPNGROZVPT-LJQANCHMSA-N 434.254 -0.190 50 10 IBGE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCc3ccco3)CC2)C[C@@H](C)O1 748334284 OBVGNAWCEBPMOG-HUUCEWRRSA-N 443.526 -0.075 50 10 IBGE O=C(CCN1C(=O)CCNC1=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1629792635 CXYWNEUAYUJFLJ-UHFFFAOYSA-N 446.533 -0.911 50 10 IBGE O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1COCCO1 760362537 NQINLDMDOPQLKQ-HNNXBMFYSA-N 433.508 -0.414 50 10 IBGE COc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732468 VIGYUTDZHFCFNQ-LLVKDONJSA-N 430.421 -0.943 50 10 IBGE CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1141786747 UMUXTISLOXETHF-HNNXBMFYSA-N 445.563 -0.062 50 10 IBGE Cn1cc(N2C[C@H](C(=O)NNc3ccccc3S(=O)(=O)N3CCOCC3)CC2=O)cn1 1147903085 RGVUZSNMFXEXHH-CQSZACIVSA-N 448.505 -0.063 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cc(B(O)O)ccc3F)CC2)cc1 1294590220 DVAZHQJHGMQDRS-UHFFFAOYSA-N 428.273 -0.607 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccc(-n2cncn2)n1 1566278999 ZQNPCEKBSGQKDI-UHFFFAOYSA-N 434.460 -0.119 50 10 IBGE CC[C@H](O)Cn1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)nn1 1631000010 OLNRDHIHBAIMBK-SFHVURJKSA-N 429.525 -0.064 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@H]3CCC(=O)N3)CC2)cc1 1635500415 IESYLISFTRLRNM-HNNXBMFYSA-N 437.522 -0.883 50 10 IBGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 726276900 DEMCZOBALMFWRP-INIZCTEOSA-N 439.538 -0.023 50 10 IBGE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1478951430 XICVBAOWPQGTMH-IAGOWNOFSA-N 439.538 -0.659 50 10 IBGE CCn1cc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1587964476 SRLSYMYBAQSGQH-UHFFFAOYSA-N 449.537 -0.697 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(OC)c1 729969334 PHJFKYGWDRIESZ-RYUDHWBXSA-N 425.463 -0.500 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nc(Br)cs2)n(C)c1=O 792399600 GVFZNJYQCMZDIC-UHFFFAOYSA-N 442.255 -0.886 50 10 IBGE COCCOCC(=O)NC1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1 1182157817 DSOLEWCXXMDDQN-OQSMONGASA-N 442.557 -0.029 50 10 IBGE COC[C@H](OC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1350242376 ARMGUJMTLCFQJS-INIZCTEOSA-N 429.495 -0.551 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2282708638 PHZMGKXVLJTQGW-UHFFFAOYSA-N 436.299 -0.573 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)[C@@H]2COCCO2)c1 744645818 AHYKRRJFJPECER-INIZCTEOSA-N 426.495 -0.287 50 10 IBGE CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1 743582586 FSZHNLLYRVGIOT-UHFFFAOYSA-N 435.453 -0.434 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 750661046 ADZPMSQLKDDUTK-SQWLQELKSA-N 437.522 -0.045 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)CC1 1558458636 KEHJXPOPZMQIID-INIZCTEOSA-N 425.530 -0.060 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc2)CC1 1583795612 CAVYQXZHDBFMCV-QGZVFWFLSA-N 438.506 -0.131 50 10 IBGE COc1ccccc1C(=O)NNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 731499776 GBVCFFLKORMFTH-UHFFFAOYSA-N 427.483 -0.756 50 10 IBGE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 816824915 OJFYAMHKAVDXNG-PIGZYNQJSA-N 435.474 -0.456 50 10 IBGE Cn1cc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)CBr)CC3)CCC2=O)cn1 1446963216 QXYAMXNHONCJAI-GFCCVEGCSA-N 448.343 -0.011 50 10 IBGE C[C@@]1(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCS(=O)(=O)N1 1586843106 IYSOLJQOSBWTMG-INIZCTEOSA-N 432.524 -0.378 50 10 IBGE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)Cc2ccsc2B(O)O)s[nH]1 2282336120 YTVQCOZGTKQOFH-UHFFFAOYSA-N 434.330 -0.332 50 10 IBGE CSCCNC(=S)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 770247209 MBYORTORAKJSOJ-FRRDWIJNSA-N 436.625 -0.046 50 10 IBGE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 749551451 NRCDLDSWVSYAAS-XHSVMWQWSA-N 449.460 -0.110 50 10 IBGE CCc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C 754450757 MHRALKUOAZHCTF-CHWSQXEVSA-N 446.508 -0.545 50 10 IBGE Cc1c(Cl)cccc1S(=O)(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765127124 URJCJWJKUZNVBJ-UHFFFAOYSA-N 440.869 -0.595 50 10 IBGE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 840565755 JULJUJUEQLWJPI-CYBMUJFWSA-N 447.535 -0.322 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCN(S(C)(=O)=O)CC2)c1 1540367903 JEVVPUUCTHZQGC-UHFFFAOYSA-N 446.551 -0.240 50 10 IBGE O=C(N[C@H]1[C@H]2C[C@H]1N(S(=O)(=O)Cc1ncsc1B(O)O)C2)OCc1ccccc1 2267626699 MMROTJXNFSPAEB-CFVMTHIKSA-N 437.308 -0.348 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)n1 2282728188 CZTUJCYBXXPAJB-DBQDNQAGSA-N 434.283 -0.774 50 10 IBGE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)[C@H]1COCCO1 771003223 HFPOGICJTVBLDA-JOYOIKCWSA-N 425.385 -0.065 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@]3(C)CCC(=O)N3)CC2)cc1 1294587835 NULKWZZCPWWVMD-IBGZPJMESA-N 437.522 -0.883 50 10 IBGE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)N2CCN(C)CC2)CCCC1 1556361720 GEFXJKVHPXXZES-UHFFFAOYSA-N 428.515 -0.129 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282371961 RKUJJKSUEJDZLD-CQSZACIVSA-N 440.736 -0.269 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 814335333 IFBALLDUJJDDKU-KBPBESRZSA-N 433.494 -0.366 50 10 IBGE O=C(NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)[C@H]1CCc2nncn2C1 816878010 IKCFZESDNJECGM-QEJZJMRPSA-N 432.481 -0.030 50 10 IBGE C=C(CCN(C)C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1566279008 ZUBYAYXINAVKII-UHFFFAOYSA-N 437.566 -0.043 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 1289966847 KVSISDJJNRICMD-ZDUSSCGKSA-N 433.494 -0.129 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)N1 1438033698 BAXFLWXZEOOLQW-JTQLQIEISA-N 440.386 -0.215 50 10 IBGE O=C(N[C@@H]1CC12CC(NS(=O)(=O)c1cncc(B(O)O)c1)C2)OCc1ccccc1 2282719464 MPPFYTHRFIDKSL-URSIVYNOSA-N 431.279 -0.113 50 10 IBGE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 804868025 SCQOLXCDNABLFZ-LBPRGKRZSA-N 446.555 -0.310 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)[C@@H](C)CO)CC2)cc1 1299925710 JUCDWRZTWOPOCX-INIZCTEOSA-N 426.539 -0.048 50 10 IBGE C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)N1C(=O)c2ccc(Br)cc2C1=O 1470660731 DTQWFDQPQMVAEY-ZETCQYMHSA-N 432.252 -0.374 50 10 IBGE CN(C)N(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1642080686 XOPOPUMEAWTHPJ-TZMCWYRMSA-N 439.943 -0.529 50 10 IBGE COc1cc(C(=O)NNC(=O)NC[C@]23COCCN2C(=O)COC3)cc(OC)c1OC 1675294969 SGAUVIIVCFHAHX-LJQANCHMSA-N 438.437 -0.716 50 10 IBGE COCCN(/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 217005330 PYILYNHJAOSPBI-BMOGTNHUSA-N 442.519 -0.185 50 10 IBGE Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1446963806 RNCNZYNNTXGIOB-UHFFFAOYSA-N 441.329 -0.523 50 10 IBGE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1546252228 VTTRVQXIXLHEBF-SNVBAGLBSA-N 430.321 -0.302 50 10 IBGE Cc1cc(C)n(CC(=O)NNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)n1 1638311321 IMANXNZPJQMBKN-UHFFFAOYSA-N 429.481 -0.395 50 10 IBGE Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Br)cn2C)cn1C 750602161 QRPDUHFHUNJNFU-UHFFFAOYSA-N 447.315 -0.041 50 10 IBGE CCn1nc(C(=O)NNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)c2ccccc2c1=O 1540381261 WDWSTVYWVISFBT-AWEZNQCLSA-N 429.433 -0.411 50 10 IBGE Cc1nn(-c2ccccc2)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765723728 DOVQFJHEACPNCF-UHFFFAOYSA-N 436.432 -0.611 50 10 IBGE CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784916836 XRJYTUQUAWVTKA-UHFFFAOYSA-N 426.499 -0.746 50 10 IBGE CN1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 919657571 PTQUPMLKXJGTQT-HNNXBMFYSA-N 425.511 -0.254 50 10 IBGE CN(C)S(=O)(=O)NCCNC(=O)NNC(=O)c1cc(F)ccc1Br 1251282130 RUJTYHRVFBOSCU-UHFFFAOYSA-N 426.268 -0.072 50 10 IBGE Cc1cc(C)n(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(=O)n1 1465792257 XGQKNBRQHKVOLC-UHFFFAOYSA-N 426.477 -0.534 50 10 IBGE CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1 254398989 OZQDJDIABADROF-UHFFFAOYSA-N 440.468 -0.105 50 10 IBGE C[C@@H](C(=O)NNC(=O)[C@@H]1COCCO1)N1C(=O)c2ccc(Br)cc2C1=O 744643806 JEBDPLDIDSBTDJ-UFBFGSQYSA-N 426.223 -0.004 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc(Cl)c(F)c2)n(C)c1=O 815826814 BSHDHEUENUVWES-UHFFFAOYSA-N 438.803 -0.547 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 1624409713 GNKMMOIODOSRIP-ZFWWWQNUSA-N 432.568 -0.103 50 10 IBGE CO[C@H]1COCC[C@H]1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 1672938084 GKQDEYJRLUMNGK-HOCLYGCPSA-N 428.511 -0.003 50 10 IBGE O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)N1CCOCC1 1136452638 FHTVGESIIAKSEO-UHFFFAOYSA-N 428.467 -0.411 50 10 IBGE CCS(=O)(=O)NC1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 1660518476 VRTJJHYQIODWRT-UHFFFAOYSA-N 428.511 -0.132 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324504843 IOYPWXWQBPDJIE-XUWVNRHRSA-N 429.267 -0.750 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1COCCO1 744644140 SNMGKDJSWGBYIL-OLZOCXBDSA-N 435.499 -0.212 50 10 IBGE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c1 745979454 RAUYRUMSMIPTKF-DSYXLKISSA-N 430.435 -0.385 50 10 IBGE C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NNC(=O)[C@H]1COCCO1 745998314 JGMODSWFZXNVAS-BXKDBHETSA-N 431.243 -0.007 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccc(F)c(F)c2)n(C)c1=O 765726823 GPFNBMSEKOXMIF-UHFFFAOYSA-N 438.416 -0.348 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 1641666999 JVYDRLHKLIGQTK-UHFFFAOYSA-N 431.536 -0.184 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 745816326 FQZJXFAOACWFDF-HUUCEWRRSA-N 435.485 -0.972 50 10 IBGE O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)NCc3ccccc3)cc2)CCN1 787367244 ZXQOYRZFKAMDQA-UHFFFAOYSA-N 431.474 -0.049 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)n1 2282377238 OJWSKIXYLUHDAM-UHFFFAOYSA-N 434.283 -0.821 50 10 IBGE N#C/C(=C/c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2200542 YZXHQNVEQSCWQS-SZGZABIGSA-N 443.485 -0.259 50 10 IBGE CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(Br)c1 802721725 BODOLMBHVZCKQO-SNVBAGLBSA-N 443.297 -0.423 50 10 IBGE O=C(NNC(=O)c1ccnc2ccnn12)c1cccc(S(=O)(=O)N2CCOCC2)c1 1457488889 WTUKTXOZZHJFPY-UHFFFAOYSA-N 430.446 -0.175 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1630996317 BIHZJCLXXPHBLT-CVEARBPZSA-N 444.410 -0.062 50 10 IBGE Cn1nnc(Br)c1S(=O)(=O)NCCS(=O)(=O)CCBr 2335755756 XFIDLZSCVBFHEB-UHFFFAOYSA-N 440.139 -0.334 50 10 IBGE CO[C@@]1(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)CCS(=O)(=O)C1 1630999921 LHVLGQWSRBBKNM-FQEVSTJZSA-N 438.550 -0.536 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)CI 2209518071 BZUBOTAZCMVZBI-CIUDSAMLSA-N 436.268 -0.361 50 10 IBGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3cc(B(O)O)cs3)C2)C1 2282720443 ZZZFYTQMFBOSJN-UHFFFAOYSA-N 436.342 -0.165 50 10 IBGE Cc1cc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)s1 765127091 UCAWOLVRCWMNRE-UHFFFAOYSA-N 426.480 -0.878 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n(C)c1=O 1445548078 CKNWQZXLNYTKFU-ZJUUUORDSA-N 430.387 -0.050 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(I)cc1-n1cnnn1 1629129720 QMWGAQZGWXHOQD-NSHDSACASA-N 444.189 -0.557 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1635878356 ZYSHKKLKGQARHU-QOBDMFJFSA-N 430.383 -0.258 50 10 IBGE CN(C)N(C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1642080683 XOPOPUMEAWTHPJ-JSGCOSHPSA-N 439.943 -0.529 50 10 IBGE CO[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H]1CCOC1 1682629320 GYCSHRCAZKOZET-HOCLYGCPSA-N 428.511 -0.003 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@@H]1COCCO1 746002544 KSMJXJDZKAEJSA-JTQLQIEISA-N 438.915 -0.136 50 10 IBGE O=C(NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1COCCO1 915188050 LSNIWTNVJBOYDK-AWEZNQCLSA-N 430.508 -0.560 50 10 IBGE C[C@]1(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCS(=O)(=O)N1 1586843107 IYSOLJQOSBWTMG-MRXNPFEDSA-N 432.524 -0.378 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282740656 CQUBJDHZLCBCRL-UHFFFAOYSA-N 440.736 -0.269 50 10 IBGE CCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H]2COCCO2)(c2ccccc2)CC1 744652348 HYQYSLGVJGCJJY-MRXNPFEDSA-N 425.507 -0.067 50 10 IBGE COc1ccc(OC)c(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764513085 FBEMKKVCLRKBGT-UHFFFAOYSA-N 447.477 -0.531 50 10 IBGE O=C(CNC(=O)c1ccco1)NNC(=O)NCCn1cc(Br)ccc1=O 1682959898 IJJVCZPOCBFBHI-UHFFFAOYSA-N 426.227 -0.036 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282727108 WJHIIMAKUYYQFD-UWVGGRQHSA-N 440.736 -0.270 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2sccc2-n2cccc2)n(C)c1=O 766635509 DRCFYKUSRMRWIP-UHFFFAOYSA-N 427.446 -0.253 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NC[C@]3(C)CCC(=O)N3)nc2)CC1 1229691770 VQAUIAMQLAJPNX-KRWDZBQOSA-N 425.515 -0.688 50 10 IBGE O=C(NNC(=O)c1cc(B(O)O)ccc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 1617979603 HQOQDVSPKFRZQR-UHFFFAOYSA-N 435.242 -0.635 50 10 IBGE CN1C(=O)CS/C1=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1654138277 DQBZFDUOHBSCCU-MHWRWJLKSA-N 440.503 -0.485 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)cc1O 1160732721 CJQSFWZOTQWFDZ-ZCFIWIBFSA-N 427.220 -0.305 50 10 IBGE O=S1(=O)C[C@H](Cl)[C@H](NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 12176121 PCZQUFSKMFOCQH-MROQNXINSA-N 431.001 -0.067 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1139092513 ILUQPSXIRSLWGE-FZKQIMNGSA-N 445.542 -0.744 50 10 IBGE CN(OCC(F)(F)F)C(=O)CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1253324602 DLELWNLYRKMXPE-UHFFFAOYSA-N 426.373 -0.014 50 10 IBGE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2cscc2B(O)O)s[nH]1 2282381193 RPELIRPDNOFWPD-UHFFFAOYSA-N 434.330 -0.431 50 10 IBGE O=C(c1cc(N2CCOCC2)ncn1)N1CCN(S(=O)(=O)CBr)CC1 1566973513 ICKBUKWZLQWKIM-UHFFFAOYSA-N 434.316 -0.247 50 10 IBGE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)c1ccc(=O)n(C)c1 1636482784 QNFRJVOOQFNEFT-UHFFFAOYSA-N 449.533 -0.001 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)ccc1=O 1645962130 QZZUKOAPVLHCLJ-OAHLLOKOSA-N 434.474 -0.083 50 10 IBGE CO[C@@]1(NC(=O)CCl)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21 39427834 IZXZJCSAJLWMHD-YPMHNXCESA-N 434.887 -0.746 50 10 IBGE COC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(OC)c1 757173925 YBHFNQNZBYLARP-STQMWFEESA-N 425.463 -0.040 50 10 IBGE C[C@@](O)(Cn1ccccc1=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 790816968 GXWMVJWRVQWEBS-LJQANCHMSA-N 436.490 -0.237 50 10 IBGE CSCC[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1622153745 RKGIMQIUXXQNPR-HNNXBMFYSA-N 436.538 -0.618 50 10 IBGE CC(=O)NN(Cc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 2297719269 CVFHQMGXBIFABJ-NVQRDWNXSA-N 429.437 -0.922 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCC(=O)N(C)C3)nc2)CC1 739051918 MCNWSCYNNUVPRX-ZDUSSCGKSA-N 425.515 -0.735 50 10 IBGE CC(C)(CN1CCOCC1)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1445565130 MPIGOFYXRQUIJW-UHFFFAOYSA-N 431.537 -0.050 50 10 IBGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)cc1 1618537382 YHDUMNILCSKKHF-BDQAWRDZSA-N 445.476 -0.076 50 10 IBGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1872960867 GNQDIMJPIBLCMJ-ZWKOTPCHSA-N 444.536 -0.056 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(B(O)O)s1)OCc1ccccc1 2267204658 HLNZNXVZARWXCJ-ZIAGYGMSSA-N 440.308 -0.210 50 10 IBGE O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)[C@@H]1Cc2ccccc2O1 732244073 AMHKCHQXCPZORN-ZBFHGGJFSA-N 426.495 -0.191 50 10 IBGE COC[C@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1587964839 WBPDWFGGFIMSCG-INIZCTEOSA-N 428.511 -0.890 50 10 IBGE Cc1nc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)ncc1B(O)O 2189866547 XSXKHXLRFHFWNU-QGZVFWFLSA-N 436.230 -0.769 50 10 IBGE CCCn1nc(C(=O)NNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 25954714 DDXJOBSFZNNVLX-MDZDMXLPSA-N 438.444 -0.322 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 744641388 JLGHQKDXORRWCM-AWEZNQCLSA-N 433.870 -0.463 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-n3cccc3)c(F)c2)n(C)c1=O 765725465 SKLGQIHYMICAES-UHFFFAOYSA-N 439.407 -0.175 50 10 IBGE C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1264258028 MHXFLQLGAQAZHU-KBPBESRZSA-N 432.543 -0.054 50 10 IBGE CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1608469380 FQGRTQNTQHBTCL-HUUCEWRRSA-N 425.463 -0.332 50 10 IBGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1c(B(O)O)nnn1C)Cc1ccccc1 2247942745 ZMRCIIIEJPDMNK-UHFFFAOYSA-N 443.338 -0.182 50 10 IBGE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(Br)cn1C 755081405 AMSLURYOXFKXQF-QMMMGPOBSA-N 433.288 -0.351 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2ccc3c(c2)OCO3)n(C)c1=O 815826902 FGTRUVWLPSHMES-UHFFFAOYSA-N 442.432 -0.712 50 10 IBGE COC1(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CN(C(=O)OC(C)(C)C)C1 2282730681 GDZHRBMZDUTVLT-UHFFFAOYSA-N 440.736 -0.005 50 10 IBGE C[C@H](CC(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1156183930 IMKWJZYJRWMPKX-CJNGLKHVSA-N 449.533 -0.096 50 10 IBGE O=C(c1cccc(B(O)O)c1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1463580726 BACXKQKNCABPKN-UHFFFAOYSA-N 432.292 -0.482 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1465795829 OUFLYHALSGVVFY-UHFFFAOYSA-N 445.973 -0.114 50 10 IBGE COc1ccc(C(=O)N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c(OC)c1OC 1587479569 QTTPTLRHCILAIH-UHFFFAOYSA-N 428.250 -0.010 50 10 IBGE O=C(N/N=C(\c1nc2ccccc2[nH]c1=O)[C@H](O)[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 15774938 OLQGMYJHLBYMKJ-AOUDRPCHSA-N 427.373 -0.321 50 10 IBGE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@H]1COCCO1 1566168785 SHTFVKSKLVXYLJ-ZIAGYGMSSA-N 447.897 -0.564 50 10 IBGE O=C(NNC(=O)c1nscc1I)N[C@@H]1CCS(=O)(=O)C1 1597427011 YLZUQKYIMCNWDQ-RXMQYKEDSA-N 430.249 -0.121 50 10 IBGE O=C(NNC(=O)[C@H]1CCN1C1CCOCC1)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 1645053948 MNMRNUVDAHNMEC-JKSUJKDBSA-N 432.481 -0.422 50 10 IBGE O=C(OCc1ccccc1)N1CC[C@H](NS(=O)(=O)Cc2ncsc2B(O)O)C1 2255750667 NVPJMVRFTJLJKU-ZDUSSCGKSA-N 425.297 -0.347 50 10 IBGE O=C(N[C@@]1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCOC1)OCc1ccccc1 779756746 UHOOFSCLCPBIAY-KSSFIOAISA-N 425.463 -0.346 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC2)cc1 1445566651 QTODKDPUBXUBJG-IBGZPJMESA-N 439.582 -0.166 50 10 IBGE CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 1683564680 HVVLLQRIWWSKDE-ZDUSSCGKSA-N 433.531 -0.002 50 10 IBGE O=S(=O)(NC[C@@H]1CNCCN1Cc1ccccc1)c1cc(Cl)c(B(O)O)s1 2282373963 UUVHJGDYPQMRGO-ZDUSSCGKSA-N 429.760 -0.166 50 10 IBGE CC(=NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 793131995 RGZRGRIJWOQOOL-MRXNPFEDSA-N 431.522 -0.025 50 10 IBGE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 806037246 RIJZIYUKVDAREN-DOMZBBRYSA-N 427.483 -0.572 50 10 IBGE CS(=O)(=O)N1CCC(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1 1152745392 ISAQUZVFOPTTKC-UHFFFAOYSA-N 446.389 -0.126 50 10 IBGE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 1445055578 ZCPFTNOMROSHNH-KBPBESRZSA-N 447.897 -0.564 50 10 IBGE Cn1cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cn1 1544081031 YAGQGDDDQYSKBB-ATVHPVEESA-N 429.506 -0.010 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2282086267 JXIXASDYVUXCLR-UHFFFAOYSA-N 434.283 -0.821 50 10 IBGE Cn1cc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)CBr)CC3)CCC2=O)cn1 1446963649 QXYAMXNHONCJAI-LBPRGKRZSA-N 448.343 -0.011 50 10 IBGE O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 33931227 PCZQUFSKMFOCQH-QNWHQSFQSA-N 431.001 -0.067 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 814305164 FUACIUBACFWUQH-GJZGRUSLSA-N 427.465 -0.149 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1632324562 ATHCVWNVZUFIPC-UHFFFAOYSA-N 444.535 -0.476 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)CS(C)(=O)=O 1634356094 ZOCMEIKHUCWVGQ-ZDUSSCGKSA-N 437.565 -0.413 50 10 IBGE Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)nc1B(O)O 2247871560 DEOKSTUKLCRNGV-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)[C@H]2COCCO2)cc1 744642712 MJEIXIYHGPEACY-IAGOWNOFSA-N 439.490 -0.005 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816874279 ZHXXVRVLSPSSNI-CQSZACIVSA-N 448.505 -0.369 50 10 IBGE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCc4nncn4C3)C2=O)cc1 816881728 NZZLKSMJDQCPSH-RBZFPXEDSA-N 425.449 -0.236 50 10 IBGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1637744119 VCTSYVAILIREPS-VBKZILBWSA-N 436.465 -0.189 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc(C(F)(F)F)n2)n(C)c1=O 793673883 IFOBVOOIBMNGHJ-UHFFFAOYSA-N 431.356 -0.630 50 10 IBGE O=C(c1ccnc(N2CCOCC2)n1)N1CCN(S(=O)(=O)CBr)CC1 1295731658 VZQGRCAPKHHOIG-UHFFFAOYSA-N 434.316 -0.247 50 10 IBGE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 1301697218 KRGOBPXLKLHJIT-CFRMROPGSA-N 449.576 -0.110 50 10 IBGE COC(=O)C1CC2(C1)C[C@H](NC(=O)NNC(=O)[C@@H]1C[C@H]3CC[C@H]1O3)CCS2(=O)=O 1685668864 GUEDAJRFBLUIAG-JIDQZLCASA-N 429.495 -0.217 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC[C@H]3CCOC3=O)nc2)CC1 1687494496 JXKRXWMANBZAEM-AWEZNQCLSA-N 440.526 -0.013 50 10 IBGE O=C(NC[C@@H](NS(=O)(=O)c1cncc(B(O)O)c1)C(F)(F)F)OCc1ccccc1 2282716629 WYKGBZVIWVHGHK-CQSZACIVSA-N 447.200 -0.103 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@@H](O)C1 2282726111 MUQNPHLBYSMSCN-ZJUUUORDSA-N 440.736 -0.270 50 10 IBGE CCOC(=O)/C(C#N)=C/c1cn([C@H]2C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)c(=O)[nH]c1=O 40762453 RMPRCEIVGVPOAT-AAPWHHRFSA-N 435.389 -0.211 50 10 IBGE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc1F 749771697 OMDAOHTXKWPMLQ-ZDUSSCGKSA-N 425.460 -0.299 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSCc2ccc(F)cc2)n(C)c1=O 765726881 HIMDPNMXRMWNBW-UHFFFAOYSA-N 434.453 -0.346 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1545111416 RDLCHTVWBVWWLN-LBPRGKRZSA-N 433.508 -0.683 50 10 IBGE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2=O)n(C)n1 1556168942 ZKQSQHFPEGOOKZ-SFHVURJKSA-N 425.298 -0.638 50 10 IBGE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1CCN1C1CCOCC1 1558458075 BOBMPYDBOYUFRS-INIZCTEOSA-N 449.533 -0.094 50 10 IBGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)c1ccc([N+](=O)[O-])o1 2297709532 YBARICWMJWMWLO-UHFFFAOYSA-N 446.384 -0.280 50 10 IBGE CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)n(C)c1 794063055 HCXCAIPCQDJMBU-UHFFFAOYSA-N 437.478 -0.037 50 10 IBGE NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)s1 1566973337 FALXLZWTRNEURJ-UHFFFAOYSA-N 432.343 -0.165 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1=O 1585643042 AQHCMCTVKXCMPU-UHFFFAOYSA-N 438.437 -0.380 50 10 IBGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCCN1CCOCC1 217261146 QAPJKIKDQZBZHH-ZCXUNETKSA-N 433.534 -0.151 50 10 IBGE CO[C@H]1COCC[C@H]1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558898749 FSZQENBDTYLWAZ-YOEHRIQHSA-N 441.506 -0.090 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)CN1CCCC1=O 1648935148 XBEOMPMUQYVTOV-UHFFFAOYSA-N 438.384 -0.367 50 10 IBGE CO[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCOC1 1682629304 GYCSHRCAZKOZET-GDBMZVCRSA-N 428.511 -0.003 50 10 IBGE Cn1nc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c(B(O)O)c1Cl 2281659111 WIGHKDMXOLMRGL-CYBMUJFWSA-N 436.661 -0.479 50 10 IBGE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 805067812 FHEPJUMZJCXLMQ-OAHLLOKOSA-N 439.542 -0.210 50 10 IBGE C[C@H](C(=O)N(C)CC(=O)N1CCN(S(=O)(=O)CBr)CC1)n1cccn1 1566973349 FEMIAPRPOFVVLG-GFCCVEGCSA-N 436.332 -0.271 50 10 IBGE O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)[C@H]1COCCO1 789309299 IXFZLRCFIFQADS-DOTOQJQBSA-N 438.456 -0.411 50 10 IBGE CN1CCN(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1155656801 PZSOKEZYWGULEF-UHFFFAOYSA-N 431.540 -0.505 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1610347945 SPUKHHXQZVLEIV-IACUBPJLSA-N 430.458 -0.179 50 10 IBGE O=S1(=O)CCN(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)CC1 2075318473 JDCXGLYHWGKZBO-YUMQZZPRSA-N 426.152 -0.196 50 10 IBGE CO[C@]1(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)CCS(=O)(=O)C1 1630999922 LHVLGQWSRBBKNM-HXUWFJFHSA-N 438.550 -0.536 50 10 IBGE O=C(NNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)[C@@H]1CCN1C1CCOCC1 1635375435 WQWHXLUDEJFIMZ-NZSAHSFTSA-N 448.495 -0.269 50 10 IBGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)ccc1=O 1636482028 GQHRFBHJDGEBKZ-UHFFFAOYSA-N 443.279 -0.113 50 10 IBGE Cn1cc(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)c(=O)n(C)c1=O 2196122495 OUDWXEGXURVXPR-KNVOCYPGSA-N 431.106 -0.385 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2cc(B(O)O)cs2)C1 2267473508 GYKFXQUCOAURIA-HNNXBMFYSA-N 440.308 -0.256 50 10 IBGE CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 1080323671 GLSULVMWECMEQP-AWEZNQCLSA-N 430.873 -0.138 50 10 IBGE O=C(COc1ccccc1Br)NNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1132945717 BTAUOHPCXVMWPV-VIFPVBQESA-N 439.226 -0.011 50 10 IBGE C[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(=O)(=O)C1CCOCC1 1359998573 DEXIKYMBMIFEII-ZDUSSCGKSA-N 425.511 -0.177 50 10 IBGE CC(C)(C)OC(=O)NCCCN(CCO)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2281100814 FXDRALSAMRAYEQ-CHWSQXEVSA-N 427.951 -0.284 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324504841 IOYPWXWQBPDJIE-FZKCQIBNSA-N 429.267 -0.750 50 10 IBGE Cc1c(C=NNC(=O)[C@H]2COCCO2)c2ccccn2c1C=NNC(=O)[C@H]1COCCO1 771878793 MIRUTGBBQMSHJD-RTBURBONSA-N 443.460 -0.021 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1sccc1S(=O)(=O)N1CCOCC1 816882893 PCBYFLWJLOSNBB-LLVKDONJSA-N 440.507 -0.616 50 10 IBGE CCO[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)[C@H]1CCOC1 1638390420 XOBKWQFBKMEMPV-GOEBONIOSA-N 427.527 -0.098 50 10 IBGE C[C@H](C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1638811771 FUKASTPGWCTRFQ-LEZGYBIHSA-N 436.465 -0.306 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1csnc1B(O)O 2243378415 SLIGHRDWPHGBRX-UHFFFAOYSA-N 444.319 -0.029 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)n1 2282377303 PBRGQMJNMGAGAK-OAHLLOKOSA-N 436.299 -0.573 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1COCCO1 746003340 POUSHBHFEYBROM-CYBMUJFWSA-N 432.886 -0.198 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3ccnn3C)CC2)cc1 768069345 BGQZCMYVVLSWAI-UHFFFAOYSA-N 434.522 -0.575 50 10 IBGE COCCO[C@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 1460041842 WGMCLOYBHDNTRL-HOCLYGCPSA-N 425.482 -0.189 50 10 IBGE O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1O2 1640905738 NMIZEGPMTPIDBL-DMVVEVTLSA-N 427.454 -0.336 50 10 IBGE CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@H]([S@](C)=O)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 725389063 XSLGFIQRVCXUEU-UUDTWELCSA-N 440.990 -0.595 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@]2(C)CCCS2(=O)=O)CC1 1306648173 GBIKVASHOYUICB-INIZCTEOSA-N 431.540 -0.572 50 10 IBGE Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)n1 1682367149 LPUMBEBQBODCDN-OAHLLOKOSA-N 429.547 -0.215 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@](C)(O)Cn3ccccc3=O)cc2)CC1 790646615 OETCTVHMLDVHGN-HXUWFJFHSA-N 449.533 -0.321 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1sccc1S(=O)(=O)N1CCOCC1 816882894 PCBYFLWJLOSNBB-NSHDSACASA-N 440.507 -0.616 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3cn(C)nn3)CC2)cc1 1445550588 KGGLRSMCGKJMRS-UHFFFAOYSA-N 449.537 -0.790 50 10 IBGE Cn1cc([C@H]2CS(=O)(=O)CCCN2CC(=O)NNC(=O)c2cccc(C#N)c2)cn1 1460779514 HTQNZDZFTCMGOE-QGZVFWFLSA-N 430.490 -0.085 50 10 IBGE O=C(c1cc(B(O)O)ccc1F)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1618022355 VKWSWBNTHPQFJS-UHFFFAOYSA-N 428.197 -0.070 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C 1198572304 CWTPHVSXYTYJCM-CQSZACIVSA-N 449.899 -0.018 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCc4nnc(O)n4C3)CC2)cc1 1629797510 TUZVBCLBHOMGIU-QGZVFWFLSA-N 427.509 -0.180 50 10 IBGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)[C@H]1COCCO1 744650585 XTZWIOICPVDPFL-GFCCVEGCSA-N 426.223 -0.002 50 10 IBGE O=S1(=O)CCN(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)CC1 2075318471 JDCXGLYHWGKZBO-HTQZYQBOSA-N 426.152 -0.196 50 10 IBGE O=C(N[C@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B(O)O)OCc1ccccc1 2255885242 MYLUNTIKFOARDW-QWHCGFSZSA-N 425.297 -0.300 50 10 IBGE COc1ccc(C(=O)NNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(OC)c1 805078089 JECHBTXMZHUOML-GFCCVEGCSA-N 429.499 -0.081 50 10 IBGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1687592940 DXISOFXCHJWVLF-KRWDZBQOSA-N 449.533 -0.251 50 10 IBGE CN(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 752578177 KRMFCRNTUVBNPQ-UHFFFAOYSA-N 431.946 -0.504 50 10 IBGE C/C(=C/C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)CN1CCOCC1 1635504883 HRQYBDNYOWTXGK-SDXDJHTJSA-N 429.521 -0.130 50 10 IBGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1872960865 GNQDIMJPIBLCMJ-ROUUACIJSA-N 444.536 -0.056 50 10 IBGE CO[C@@]1(NC(=O)CCl)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 39427836 IZXZJCSAJLWMHD-AAEUAGOBSA-N 434.887 -0.746 50 10 IBGE N#Cc1cn(CCC(=O)N2CCN(S(=O)(=O)CBr)CC2)c(=O)nc1O 1446964317 TXJKIMCZUOXVBK-UHFFFAOYSA-N 434.272 -0.963 50 10 IBGE O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@H]1CCC(=O)N1 1633924433 AJFDFVLSFNNYMG-LLVKDONJSA-N 433.284 -0.457 50 10 IBGE COc1ccc(C(=O)NNC(=O)NCc2nnc3n2CCNC3=O)cc1Br 1638032488 BEYZXMSSNUVHLF-UHFFFAOYSA-N 438.242 -0.063 50 10 IBGE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1645053324 COEYZRSGSGFJGD-DYVFJYSZSA-N 440.522 -0.640 50 10 IBGE CN(C)c1ccc(C=NNC(=O)c2c(CN3CCOCC3)nnn2-c2nonc2N)cc1 263631864 ANZVRMMZTVPOBB-UHFFFAOYSA-N 440.468 -0.105 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 744645477 UAFBMORUKSIRFU-TZMCWYRMSA-N 447.897 -0.026 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCN3C=O)CC2)cc1 1294587845 OIIWDPIYPWPEPV-KRWDZBQOSA-N 437.522 -0.930 50 10 IBGE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccc2F)c1 1617000358 HALFSUNODGJVGS-UHFFFAOYSA-N 443.478 -0.102 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 744645474 UAFBMORUKSIRFU-GXTWGEPZSA-N 447.897 -0.026 50 10 IBGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)[C@@H]1COCCO1 744650587 XTZWIOICPVDPFL-LBPRGKRZSA-N 426.223 -0.002 50 10 IBGE C[C@H]1CN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCN1S(C)(=O)=O 793218420 VZLSTBQXRJYHJA-ZDUSSCGKSA-N 427.483 -0.381 50 10 IBGE C[C@@H]1[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 1313317033 VKEFZMBVXPFCDF-CZUORRHYSA-N 425.511 -0.256 50 10 IBGE COc1ccc(B(O)O)cc1S(=O)(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2282365014 SEESGHRZXDJLIE-UHFFFAOYSA-N 434.279 -0.078 50 10 IBGE O=C(CBr)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O 725409759 CTZVWZMUQQXBAE-UHFFFAOYSA-N 439.259 -0.455 50 10 IBGE NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nc1 769738177 ILCBXYLGNRSSQT-UHFFFAOYSA-N 432.506 -0.298 50 10 IBGE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c1 745978024 AZGJQCHJPBHNCJ-JTQLQIEISA-N 443.297 -0.423 50 10 IBGE O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)NNC(=O)[C@@H]1COCCO1 789309302 IXFZLRCFIFQADS-RDJZCZTQSA-N 438.456 -0.411 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 794076066 LDFFNMSAPUWYLT-QGZVFWFLSA-N 447.492 -0.759 50 10 IBGE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C1=O 1156183962 JOBFWMAHXNRCLF-CVEARBPZSA-N 438.525 -0.033 50 10 IBGE Cc1ccn(-c2cccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)n1 1319218005 BHJXMAOLGMZGLZ-UHFFFAOYSA-N 436.432 -0.611 50 10 IBGE COCCN1C(=O)/C(=C\NNC(=O)CNC(=O)OCc2ccccc2)C(=O)NC1=S 794845935 XJJPASVKTURTJK-LCYFTJDESA-N 435.462 -0.693 50 10 IBGE Cn1nc(SCC(=O)NN=CC2(CNC(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 807960811 PBHWWGDUKOIFAF-UHFFFAOYSA-N 426.499 -0.022 50 10 IBGE O=C(NNC(=O)[C@@H]1CCN1C1CCOCC1)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1635375433 WQWHXLUDEJFIMZ-NEWSRXKRSA-N 448.495 -0.269 50 10 IBGE CCN1CCN(CC(=O)NNC(=O)COc2ccccc2Br)C(=O)C1=O 1636846167 RSYJXVGFEONIFS-UHFFFAOYSA-N 427.255 -0.334 50 10 IBGE C[C@@H](c1nscc1B(O)O)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2130025247 GDCHPWARZQMSEP-NSHDSACASA-N 437.308 -0.168 50 10 IBGE Cc1cccc(CSCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765721729 GZSIPXRGVFPSQU-UHFFFAOYSA-N 430.490 -0.177 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3ccccc3F)CC2)n(C)c1=O 785611689 APXSWHUUFZDREX-UHFFFAOYSA-N 428.424 -0.257 50 10 IBGE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cc(Br)c[nH]2)C1 804868719 CJAIBOBAALCZDM-SNVBAGLBSA-N 437.320 -0.008 50 10 IBGE Cn1cc(B(O)O)c(S(=O)(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)n1 2282377302 PBRGQMJNMGAGAK-HNNXBMFYSA-N 436.299 -0.573 50 10 IBGE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NNC(=O)CN1CCCC1=O 1635877691 GZABPEOLXGTFBZ-ZIAGYGMSSA-N 425.530 -0.018 50 10 IBGE CN1CCC(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1182150364 YFZZFOZDDOEQFJ-UHFFFAOYSA-N 440.522 -0.421 50 10 IBGE CC[C@H](NC(=O)C1=C[C@H](N(NC(=O)OC(C)C)C(=O)OC(C)C)[C@@H](O)[C@H](O)C1)C(N)=O 1616175603 NBGLXJZWVFDSBQ-BYNSBNAKSA-N 444.485 -0.316 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)n(C)c1=O 1635500892 QRMJDZGQCXHXKU-UONOGXRCSA-N 428.424 -0.086 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCS(=O)(=O)[C@H]2COCC[C@H]21 1646096030 KHUJJOSLYMLBTM-HIFRSBDPSA-N 431.898 -0.003 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cncc(B(O)O)c1)OCc1ccccc1 2282714194 OJJVTTDFNNRTLH-DLBZAZTESA-N 435.267 -0.876 50 10 IBGE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2285413161 MMDLKBGONPAQKP-VIFPVBQESA-N 442.752 -0.023 50 10 IBGE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)[C@H]1CCc2nncn2C1 816884300 WHJJOWDKQHQTGU-SGTLLEGYSA-N 437.460 -0.536 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(C)c(C(F)(F)F)c1Br 1160733857 YNXGATTUWAISII-BYPYZUCNSA-N 436.210 -0.100 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2243425519 NMLIFOANSFTFNG-UHFFFAOYSA-N 438.315 -0.185 50 10 IBGE C[C@@]1(NNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCS(=O)(=O)C1 776054404 HGTXLCNWMQGIKO-SQGPQFPESA-N 435.550 -0.034 50 10 IBGE Cn1cc(C2=NO[C@H](C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)C2)cn1 1635504701 DPPRJHOWOOHDIR-SFHVURJKSA-N 439.476 -0.482 50 10 IBGE COCCOc1ccc(/C=C(\C#N)C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 1866385735 HHUXEHWPJBDAHM-HUIKVCRJSA-N 438.458 -0.310 50 10 IBGE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc1F 762474912 KVJGMRQNZZFVOL-ZDUSSCGKSA-N 425.460 -0.298 50 10 IBGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)nn1 1531942602 LFBABBKRWDFYIS-UHFFFAOYSA-N 427.874 -0.275 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(B(O)O)ccc2F)c1 1617979930 NIWUZIZAXCYISP-UHFFFAOYSA-N 437.258 -0.389 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781994264 LUMWWAMCQOVPBX-FPMFFAJLSA-N 433.870 -0.973 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCc4nc[nH]c4C3)nc2)CC1 812555803 LKVZMYOMLRZICM-ZDUSSCGKSA-N 434.526 -0.076 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCCCS1(=O)=O 1445564795 KTDOOPJHHCODGR-UHFFFAOYSA-N 437.522 -0.983 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1nnnc1-c1ccccc1 1566278713 OOZQTJOOYARZIM-UHFFFAOYSA-N 448.487 -0.055 50 10 IBGE O=C(/C=C/Cn1cncn1)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1618796406 XXTHOTOMJIZGJN-OWOJBTEDSA-N 448.505 -0.365 50 10 IBGE O=C(NNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)[C@@H]1CCN1C1CCOCC1 1652303527 APULQWSUWNODLB-KRWDZBQOSA-N 432.477 -0.229 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)cn1 2247868874 JDZXWLXGRKEEOV-UHFFFAOYSA-N 438.290 -0.091 50 10 IBGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)COC1 2267617400 KNCTZTFDWYTXIG-UHFFFAOYSA-N 426.709 -0.347 50 10 IBGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1Br 744644507 MLKCAZFBYFLIHP-NSHDSACASA-N 436.284 -0.124 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 790482778 DEBCMOYQKLFISN-LJQANCHMSA-N 436.490 -0.624 50 10 IBGE CC(C)(C)n1nnc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1465791288 BFJQGJSDMRKQLA-UHFFFAOYSA-N 428.497 -0.424 50 10 IBGE CO[C@@H]1COCC[C@@H]1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1558898747 FSZQENBDTYLWAZ-RHSMWYFYSA-N 441.506 -0.090 50 10 IBGE Cc1nn(C)cc1C1=NO[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1586905434 QBYZSNFVRWSQGS-INIZCTEOSA-N 434.478 -0.067 50 10 IBGE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cccc(B(O)O)c3)CC2)cc1 1637137652 CTYGIKJPSFTLRY-UHFFFAOYSA-N 436.320 -0.012 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H]([S@](C)=O)[C@H](O)[C@H](O)[C@H]2O)N(C)C1 1848435077 XSLGFIQRVCXUEU-PXUIXVFTSA-N 440.990 -0.595 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CNC(=O)c1ncccc1O 1538484297 JCDFTNKWFVOELV-UHFFFAOYSA-N 426.477 -0.123 50 10 IBGE CN1C(=O)CN(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1=O 1631014942 PHIADQJLKDPYFQ-UHFFFAOYSA-N 436.900 -0.501 50 10 IBGE COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2c(c1)C[C@H](C)O2 755788491 HMKLDVHYTYYNSE-NSHDSACASA-N 426.433 -0.084 50 10 IBGE CO[C@H]1COCC[C@@H]1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1472517979 UCVQDCSOZKTMRC-CABCVRRESA-N 427.527 -0.098 50 10 IBGE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282358628 BWUZMCSRJWUFNA-VIFPVBQESA-N 440.736 -0.005 50 10 IBGE CN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287309850 XSEVFVRKIVOFFK-VXGBXAGGSA-N 425.935 -0.579 50 10 IBGE COCCN(C=C(C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 2324879517 PYILYNHJAOSPBI-HNNXBMFYSA-N 442.519 -0.185 50 10 IBGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1CC 756936096 HDIYSVOEGSVJBP-UHFFFAOYSA-N 448.505 -0.432 50 10 IBGE CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 764086011 RYXXYJFRIBOWND-ZDUSSCGKSA-N 425.511 -0.245 50 10 IBGE COc1ccc(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)cc1S(=O)(=O)N1CCOCC1 1130340288 WETQQGHJKMIQCE-ZFWWWQNUSA-N 441.506 -0.169 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 1289966846 KVSISDJJNRICMD-CYBMUJFWSA-N 433.494 -0.129 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)cc1 1558896743 DIEXXAIPKQKVEQ-QGZVFWFLSA-N 448.505 -0.002 50 10 IBGE Cn1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(I)n1 1625567235 FPAUMCALQXNCRS-LURJTMIESA-N 427.224 -0.844 50 10 IBGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc(OC)c1O 254843200 FGWWCBKCWPNSCB-UHFFFAOYSA-N 431.413 -0.219 50 10 IBGE CO[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)N(C(=O)OCc2ccccc2)C1 1539401701 JPTOITSQQRGPTK-OAGGEKHMSA-N 439.490 -0.005 50 10 IBGE NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)NNC(=O)[C@H]2COCCO2)c1 1566168780 SHACZOHILYMZHK-SECBINFHSA-N 442.675 -0.074 50 10 IBGE O=C(NNC(=O)c1cnc2n1CCOC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 1638057401 FCILLCBADHLANA-UHFFFAOYSA-N 435.462 -0.491 50 10 IBGE C#CCCCC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1639192303 RJYBTPDZZJMAQN-HNNXBMFYSA-N 429.520 -0.281 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1648386367 INCAWUIQOSHURP-CQSZACIVSA-N 448.505 -0.450 50 10 IBGE CC(C)(C)NS(=O)(=O)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620148 FXMPBWUEITVLDV-UHFFFAOYSA-N 434.540 -0.132 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53 800517752 RQCPHVBVHFSFKY-KPFCGNMCSA-N 434.496 -0.081 50 10 IBGE C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CN(C)CCN1C 1313423683 GNWGQWKVCMMGCK-CZUORRHYSA-N 426.543 -0.485 50 10 IBGE O=C(NNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)[C@@H]1CCN1C1CCOCC1 1635375437 WQWHXLUDEJFIMZ-YTQUADARSA-N 448.495 -0.269 50 10 IBGE CN1CCN(c2ncc(Br)cc2B(O)O)[C@H](CNC(=O)C(F)(F)F)C1 2231670226 UXQDNLQUNXQHLX-SECBINFHSA-N 425.014 -0.677 50 10 IBGE Cn1cnc(B(O)O)c1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2315601376 CXQULYLKIFXIBC-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 1872962852 XMDMIQKRPCVAEI-PMPSAXMXSA-N 449.533 -0.201 50 10 IBGE CCOCCOc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766641944 DKKIWIXNPYEWMV-UHFFFAOYSA-N 444.448 -0.690 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccnn1C 1540289873 GXAIPYISIOUISL-MOPGFXCFSA-N 426.433 -0.193 50 10 IBGE CCCN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O 1638057814 PHKLWXXLQSBUOZ-HNNXBMFYSA-N 438.506 -0.273 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnnc(C)c3)CC2)cc1 787126296 NNRPYGIFINILJY-UHFFFAOYSA-N 432.506 -0.139 50 10 IBGE O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)NNC(=O)c1ccccc1Cl 913053418 QGGXCAMQCKGMBN-UHFFFAOYSA-N 445.929 -0.704 50 10 IBGE CC[C@@H](O)[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1545424260 SWNWFUKCCZDDFA-NVXWUHKLSA-N 426.539 -0.144 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCc2nncn2CC1 1629793171 MIQLOYHPLADWSO-INIZCTEOSA-N 425.493 -0.164 50 10 IBGE COCCOCC(=O)NNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1170320343 KDQTZTJGVVNVTH-CQSZACIVSA-N 426.495 -0.050 50 10 IBGE C[C@@H](CO)N(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1557202808 PKGJCWPZDOVKKV-AWEZNQCLSA-N 439.538 -0.129 50 10 IBGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)Cc1ncsc1B(O)O)C(F)(F)F 2282739278 HCVFWAWCAGOPCI-QMMMGPOBSA-N 433.239 -0.302 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnn(CCC(F)(F)F)c2)n(C)c1=O 752578643 NLSMSFSBWGYOPJ-UHFFFAOYSA-N 442.358 -0.956 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc([C@@H]3CCCOC3)cc2)n(C)c1=O 779935404 IFZWLUQSGQCTBF-OAHLLOKOSA-N 440.460 -0.211 50 10 IBGE Cc1nc(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)ncc1B(O)O 2189864798 RXENUOAEJIYCEN-UHFFFAOYSA-N 432.267 -0.471 50 10 IBGE Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=Cc1ccccc1C(=O)O 254524057 KDPZSFFLPZGSJZ-UHFFFAOYSA-N 441.408 -0.473 50 10 IBGE Cn1cnnc1SCc1c(C(=O)NN=Cc2ccncc2)nnn1-c1nonc1N 254533821 UOYKFERABTWJHN-UHFFFAOYSA-N 426.426 -0.188 50 10 IBGE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 804868024 SCQOLXCDNABLFZ-GFCCVEGCSA-N 446.555 -0.310 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816874278 ZHXXVRVLSPSSNI-AWEZNQCLSA-N 448.505 -0.369 50 10 IBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1-n1cnnn1 1540475155 RTMXBZCUIYIEOS-MRVPVSSYSA-N 429.256 -0.380 50 10 IBGE CC1=C(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)S(=O)(=O)CCO1 1635504802 HHICNGZCPAFCCT-UHFFFAOYSA-N 436.534 -0.063 50 10 IBGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1COCCO1 745979114 ZLTZSSMXJAGVIQ-OAHLLOKOSA-N 433.508 -0.414 50 10 IBGE Cn1ncc(Cl)c1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 797431677 UJKXPGXASINHQG-UHFFFAOYSA-N 440.913 -0.159 50 10 IBGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)c1 1456032722 WIWDGEKMEZABSI-QGZVFWFLSA-N 438.506 -0.432 50 10 IBGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3cscc3B(O)O)C2)C1 2282375175 LVNWLUQHMHVCEC-UHFFFAOYSA-N 436.342 -0.165 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(=O)c2cccc(F)c2)n(C)c1=O 767353214 DDSGPZJVPHVPBE-UHFFFAOYSA-N 430.396 -0.617 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[C@H]1c1nccn1C 1440418232 SGQFWIYKTWITJI-XIRDDKMYSA-N 429.433 -0.304 50 10 IBGE CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1445560144 BPVXDQTVWFEMPE-AWEZNQCLSA-N 445.973 -0.067 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2)CC1 1529790424 SEJHKIACDWBMFM-DYVFJYSZSA-N 438.506 -0.275 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)/C(C#N)=C/c1cccc(Br)c1 1866366753 QKPFAWNNLAVRKK-NAWAKGBGSA-N 429.267 -0.750 50 10 IBGE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c1 745979455 RAUYRUMSMIPTKF-IHVVCDCBSA-N 430.435 -0.385 50 10 IBGE CCOc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729815 HKDGHGRVGZTFHV-UHFFFAOYSA-N 428.449 -0.387 50 10 IBGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCCO2)cc1 814343129 ZYBCXYNWYXGGCB-MRXNPFEDSA-N 429.495 -0.090 50 10 IBGE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1178420899 QZELKMWSORPBEC-QGZVFWFLSA-N 449.533 -0.018 50 10 IBGE CC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(Br)c1 1558927607 CXXPDIYSVBCJCM-UFBFGSQYSA-N 435.300 -0.289 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)(F)F)s2)n(C)c1=O 802762383 DUZFFUHYYXTZJP-UHFFFAOYSA-N 430.368 -0.025 50 10 IBGE CN(CC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ncnc2[nH]cnc12 1295730501 LWPVZEZVGTUYAP-UHFFFAOYSA-N 432.304 -0.385 50 10 IBGE COc1cc(C(=O)NNC(=O)NC[C@@]23COCCN2C(=O)COC3)cc(OC)c1OC 1675294968 SGAUVIIVCFHAHX-IBGZPJMESA-N 438.437 -0.716 50 10 IBGE CCN(OC)C(=O)CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1683562922 HLDLSOJIMHLLRQ-UHFFFAOYSA-N 427.483 -0.175 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2cncc(B(O)O)c2)C1 2282718847 CVWVIBXZQDWEAV-MRXNPFEDSA-N 435.267 -0.923 50 10 IBGE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2285474876 WVYAKMUVJWBYAM-XQQFMLRXSA-N 427.951 -0.286 50 10 IBGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NNC(=O)[C@H]3COCCO3)C2)CC1 805165480 KJFGSJLKFNBIFC-HUUCEWRRSA-N 427.502 -0.230 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1626426605 DUNQQVMGGMUTKD-DZGCQCFKSA-N 448.476 -0.031 50 10 IBGE CN1CCC(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 1638390193 RCZBMPJLFDVZIM-UHFFFAOYSA-N 426.543 -0.428 50 10 IBGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCNC(=O)CSS(=O)(=O)O 44960158 YWRWNTLTZZIITF-KWBADKCTSA-N 440.569 -0.519 50 10 IBGE in-vitro Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)[C@H]3COCCO3)c(Br)cc21 745979381 NVTLSHOHVFGBKR-LLVKDONJSA-N 449.283 -0.636 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cccc(F)c3)CCC2)n(C)c1=O 766635414 CHRFLUMIXSLNJQ-UHFFFAOYSA-N 428.424 -0.158 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1461840014 VBDMREQDMWNVKU-HNNXBMFYSA-N 437.522 -0.033 50 10 IBGE C[C@]1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCNC1=O 1540482063 OSLWJQAXZPFSMZ-IBGZPJMESA-N 438.506 -0.686 50 10 IBGE CC(C)(C)OC(=O)N1CC(CNc2ncc(Br)cc2B(O)O)(C(N)=O)C1 2231671846 GNDKULKANJVKEL-UHFFFAOYSA-N 429.080 -0.342 50 10 IBGE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267410468 JZNFHEMOQDUVKP-UHFFFAOYSA-N 426.709 -0.659 50 10 IBGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)N(C)C 199503947 QVANPDMQXAKOJJ-XETPBLJFSA-N 428.445 -0.310 50 10 IBGE COCC(=O)NNC(=O)CSc1nnc(NN=Cc2ccc(C(=O)OC)cc2)n1N 1084066180 BQVVVARTOBLPGM-UHFFFAOYSA-N 436.454 -0.890 50 10 IBGE O=C(CC1(n2cnnn2)CCOCC1)N1CCN(S(=O)(=O)CBr)CC1 1566973796 NLSIQIHZCDXZDY-UHFFFAOYSA-N 437.320 -0.605 50 10 IBGE CSCC[C@H](O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1628671510 AIWXMVUJJBQZPB-INIZCTEOSA-N 445.563 -0.099 50 10 IBGE COCCN(C=C(C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 2324879518 PYILYNHJAOSPBI-OAHLLOKOSA-N 442.519 -0.185 50 10 IBGE O=C(Cc1ccccn1)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 729223315 DSPBLEHDTCJMHK-UHFFFAOYSA-N 447.521 -0.499 50 10 IBGE CN(C)c1nc(O)cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 765423218 IOTGMLPUJQSRBD-UHFFFAOYSA-N 427.465 -0.533 50 10 IBGE CCc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1S(=O)(=O)N1CCOCC1 744648916 IHPTZAUNDLYAGI-OAHLLOKOSA-N 427.479 -0.554 50 10 IBGE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NNC(=O)[C@@H]2COCCO2)CC1 746000903 BSLOIHOVLXSWGC-NSHDSACASA-N 432.421 -0.569 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)CC2=O)cn1 1135312326 HMHBIICGLNRVBY-SUMWQHHRSA-N 429.433 -0.130 50 10 IBGE Cn1cc(/C=C\C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 1322961499 LBIVTOBXKDTPDF-SREVYHEPSA-N 435.481 -0.108 50 10 IBGE C[C@@H](O)CN(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1625937389 FVQKQSYZDOUJHB-BXUZGUMPSA-N 441.959 -0.235 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C[C@@H]1CCC(=O)N1 1628671577 DOOSOTNCBGYQKE-HNNXBMFYSA-N 438.506 -0.544 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccnnc2)c1 1641648487 RDZAYPRBJCRFSD-UHFFFAOYSA-N 434.478 -0.362 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282372636 ZJINGKYXVYJVRM-BDAKNGLRSA-N 440.736 -0.270 50 10 IBGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 744641010 HGKVFOLXRZIGRL-INIZCTEOSA-N 427.479 -0.341 50 10 IBGE Cn1cc(C[C@@H](O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 786687622 IJRCGXPVYRPONN-QGZVFWFLSA-N 435.506 -0.041 50 10 IBGE CN1C(=O)[C@H](O)[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)[C@H]1c1cnn(C)c1 1290351295 OLZBOYJCUDBCQC-IJLUTSLNSA-N 425.243 -0.538 50 10 IBGE COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCCO2)cc1S(=O)(=O)N1CCOCC1 1534289018 OHNOFNMYYXAPAZ-INIZCTEOSA-N 441.506 -0.025 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)N1 1588263471 WUWKNKVSHWSMFN-NSHDSACASA-N 429.886 -0.438 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCCn3c(O)nnc3O)CC2)cc1 1635504691 DCRVLRPPGNOHQM-UHFFFAOYSA-N 431.497 -0.257 50 10 IBGE COC(=O)[C@@H]1O[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 1160386006 XOURIYGDGZFRAE-XNRPHZJLSA-N 427.479 -0.270 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)C(C#N)=Cc1ccc(Br)cc1 2324504842 IOYPWXWQBPDJIE-VGWMRTNUSA-N 429.267 -0.750 50 10 IBGE CC[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(OC)cc1 775780080 CQZCOHQEZCBJSZ-CQSZACIVSA-N 428.449 -0.217 50 10 IBGE COC(=O)c1ccn(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1545423890 FBRWNMCASXSHHM-UHFFFAOYSA-N 428.449 -0.725 50 10 IBGE O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)[C@H]1CCC(=O)N1 1630431277 CMTJCFNGVWWOLH-ZCFIWIBFSA-N 425.286 -0.785 50 10 IBGE CON1CCC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1638058165 UWIHHVRGKFUIHK-UHFFFAOYSA-N 426.495 -0.258 50 10 IBGE CN(NC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776201707 LDXSDHBJVLTBKU-UHFFFAOYSA-N 448.484 -0.234 50 10 IBGE O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1131722959 LOZTYHDZJHXWKN-LBPRGKRZSA-N 436.266 -0.054 50 10 IBGE NS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 1152747071 XFTKNZQAMPCQOF-UHFFFAOYSA-N 440.341 -0.297 50 10 IBGE COCCn1ncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1C 1648592665 KGNGRKOHWMJDIB-UHFFFAOYSA-N 437.526 -0.074 50 10 IBGE CC(C)n1ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1I 1160732878 HMZJHXZJZZXYBK-SSDOTTSWSA-N 443.267 -0.233 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)COc3ccc(C#N)cc3)CC2=O)cn1 1463582710 IAQPSDBQSHFDFN-HNNXBMFYSA-N 426.433 -0.020 50 10 IBGE CN(C)N(C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1642080685 XOPOPUMEAWTHPJ-OCCSQVGLSA-N 439.943 -0.529 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)c1ccnnc1 1643024853 RMEMWJUDEWCDFI-UHFFFAOYSA-N 448.505 -0.114 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2ccc(B(O)O)cc2)C1 2282712810 WBRHXHZSYLYTEN-QGZVFWFLSA-N 434.279 -0.318 50 10 IBGE Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCc3ccccc32)cn1C 725879510 INDQRUVHWVAMLQ-UHFFFAOYSA-N 434.522 -0.003 50 10 IBGE NS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)nc1 798337773 ZHRRCWYNMSWNKR-UHFFFAOYSA-N 427.302 -0.831 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1135649923 YRXRBPFBKJGESS-RRFJBIMHSA-N 448.611 -0.030 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)c1cn[nH]c1 1530258921 AAISLCVAZKADEZ-UHFFFAOYSA-N 436.494 -0.181 50 10 IBGE C[C@H](C(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1638811772 FUKASTPGWCTRFQ-UQPQVDFHSA-N 436.465 -0.306 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCCN(C(=O)CNC(C)=O)CC2)cc1OC 1655280600 LJPMOUHNDAIDBO-UHFFFAOYSA-N 435.481 -0.865 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1cccc(B(O)O)c1)OCc1ccccc1 2282723207 OMVAIAWONZNENM-QZTJIDSGSA-N 434.279 -0.271 50 10 IBGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)[C@H](CC(N)=O)C1 2369312090 COCUCYHFBNAIGF-LLVKDONJSA-N 443.107 -0.175 50 10 IBGE COCCO[C@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 1460041845 WGMCLOYBHDNTRL-ZBFHGGJFSA-N 425.482 -0.189 50 10 IBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1-n1cnnn1 1540475156 RTMXBZCUIYIEOS-QMMMGPOBSA-N 429.256 -0.380 50 10 IBGE COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)[C@H]1C[C@@H](O)C1)N(S(C)(=O)=O)CC2 1558902553 PNOBOJQZMNBGHA-VNHYZAJKSA-N 441.506 -0.129 50 10 IBGE C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1565440303 MLOQZJNRGRFRQZ-SGMGOOAPSA-N 425.486 -0.038 50 10 IBGE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NNC(=O)CN3CCCC3=O)CC2)cc1 1587516235 NRIRWKXZLTUTQD-HJWRWDBZSA-N 429.477 -0.330 50 10 IBGE CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1629391395 POPAEWAVRNPBME-HNNXBMFYSA-N 425.530 -0.743 50 10 IBGE CCOc1ccccc1[C@](N)(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F 787996356 XRULFITVTXVOAM-OTYXRUKQSA-N 426.417 -0.113 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 816884537 BLJFEDRLTRGVQS-TZMCWYRMSA-N 426.433 -0.188 50 10 IBGE CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1178416566 IHSLZUNQUHTEGS-MRXNPFEDSA-N 426.495 -0.117 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1290255775 FIUHYFSVRBXWRT-HIFRSBDPSA-N 448.542 -0.176 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCCn1ccc(O)nc1=O 1313393472 NVQQGZNHDSUBSZ-UHFFFAOYSA-N 443.508 -0.118 50 10 IBGE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1461840079 VBDMREQDMWNVKU-OAHLLOKOSA-N 437.522 -0.033 50 10 IBGE C=CC(=O)NCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 746240478 RVNPKPZJSUNWIK-UHFFFAOYSA-N 437.522 -0.859 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1 1557381563 IGSRDUAFLYEXQH-VHDGCEQUSA-N 426.495 -0.406 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1CCC(=O)N1 1630431823 QAHYPVWBWAITKY-NSHDSACASA-N 433.284 -0.457 50 10 IBGE O=S1(=O)CCN(S(=O)(=O)NCCOCCCI)CC1 2107394604 MHTGBUDTKHUBFT-UHFFFAOYSA-N 426.298 -0.607 50 10 IBGE CCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCC 765726654 DNVAKDITLFXLJZ-UHFFFAOYSA-N 444.448 -0.308 50 10 IBGE CNS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1292321762 PSVBYTKTUKFMTM-SFHVURJKSA-N 431.518 -0.185 50 10 IBGE CCCOc1ccc(C(=O)NNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1OC 1470964790 JCKDKEWPHWFBAO-UHFFFAOYSA-N 429.499 -0.081 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NNC(=O)N3CCOCC3)CS(=O)(=O)[C@H]2C1 1544298173 XJMZXJFXVZKSNV-MJBXVCDLSA-N 446.526 -0.270 50 10 IBGE O=C(NNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)[C@@H]1COCCO1 754215124 MFXKYLHJMUXVAE-WBVHZDCISA-N 438.506 -0.001 50 10 IBGE O=C(NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 917735713 ZBZJVGMNANVDRM-MRVPVSSYSA-N 429.398 -0.068 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1 1639068712 MDZOVBGNQHVXPE-RDJZCZTQSA-N 440.570 -0.420 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 816886397 WOZDZMYWTMHIGO-CHWSQXEVSA-N 426.433 -0.188 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)CN1CCOCC1 1440625864 OIYZARYSHPLONE-UHFFFAOYSA-N 440.522 -0.880 50 10 IBGE C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1627448497 OQXXRYXBPQHLOW-JJFYZRJRSA-N 431.511 -0.160 50 10 IBGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 1872960862 GNQDIMJPIBLCMJ-QZTJIDSGSA-N 444.536 -0.056 50 10 IBGE CC(C)(C)OC(=O)NC[C@H](O)CNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282357014 DFTNSNQFWANBFD-VIFPVBQESA-N 443.114 -0.163 50 10 IBGE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 1641521677 RBXNODQVPXVPIU-HOCLYGCPSA-N 441.506 -0.055 50 10 IBGE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NNC(=O)CCOc1ccccc1)C2 786117266 PKGHXOMSSDANOW-UHFFFAOYSA-N 431.453 -0.842 50 10 IBGE COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 804867946 PHDHQSMMUXWHCO-CYBMUJFWSA-N 429.499 -0.325 50 10 IBGE COCCCNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1135646046 VEDVJCNMVMMSSE-UHFFFAOYSA-N 443.551 -0.705 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1290040299 IMUDWSBMWWPRJM-ZDUSSCGKSA-N 434.478 -0.516 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)[C@H]1c1ccnn1C 1357569079 IFDQSWXQMDTJSH-CVEARBPZSA-N 434.478 -0.653 50 10 IBGE CCN1C[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1=O 1682560061 KQDIUCGGEVOZKW-CYBMUJFWSA-N 425.515 -0.735 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2282707303 XFGMUYFARWDUDN-UHFFFAOYSA-N 440.378 -0.716 50 10 IBGE Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 1637455478 DNSMLQLZGQOZRI-UHFFFAOYSA-N 430.302 -0.325 50 10 IBGE Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765723423 AKWHPLOPOKJPEL-UHFFFAOYSA-N 433.494 -0.043 50 10 IBGE C[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)n1cnc2c(N)ncnc21 1466476043 RDRRWHUOVGKCIV-SECBINFHSA-N 432.304 -0.204 50 10 IBGE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(S(=O)(=O)CBr)CC1 1566973223 BKAUKPPDZDDTFY-YPKPFQOOSA-N 435.300 -0.271 50 10 IBGE COC(OC)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1687390639 FFZGERANVXFMCB-GFCCVEGCSA-N 430.483 -0.341 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)N1 1633925978 VERGODVJWAQZFQ-LBPRGKRZSA-N 445.295 -0.071 50 10 IBGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cnc(B(O)O)s1 718836722 URWYNQZPNHYECA-UHFFFAOYSA-N 437.308 -0.435 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)cc1 765749228 VXWOXERZGFPFSL-UHFFFAOYSA-N 430.509 -0.410 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)cc1 1149623331 XQGUULHJTMWWGB-IAGOWNOFSA-N 446.533 -0.024 50 10 IBGE COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)C(OC)OC)N(S(C)(=O)=O)CC2 1472478947 YWRUCVDUYAYNJS-ZDUSSCGKSA-N 445.494 -0.281 50 10 IBGE O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cc(B(O)O)ccc1F 1616564520 COTYPUAFRFVZQZ-OAHLLOKOSA-N 429.261 -0.469 50 10 IBGE COc1ccc(Br)c(C(=O)NNC(=O)NCc2nnc3n2CCNC3=O)c1 1684898094 UNDIBFBOHJRLRM-UHFFFAOYSA-N 438.242 -0.063 50 10 IBGE Cn1cnnc1SCc1c(C(=O)NN=Cc2cccnc2)nnn1-c1nonc1N 254310325 UEZFLOQSFKVKJU-UHFFFAOYSA-N 426.426 -0.188 50 10 IBGE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 728951499 DLEZCRIYOVJOJP-CRAIPNDOSA-N 433.509 -0.110 50 10 IBGE Cn1cc(C[C@H](O)C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 787127388 UBGHCPPIFPXOJF-SFHVURJKSA-N 434.928 -0.058 50 10 IBGE O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1557977812 JRVRLTMIAAOMRO-JSGCOSHPSA-N 444.897 -0.766 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1630996759 SNMAAWFPQCSLNU-HXUWFJFHSA-N 449.533 -0.231 50 10 IBGE C[C@H](O)CN(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1450947485 QDUAKNGROQFIKB-AWEZNQCLSA-N 439.538 -0.129 50 10 IBGE CO[C@@H]1COCC[C@@H]1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1470249262 HPXIMYAPIGPBMM-GDBMZVCRSA-N 442.542 -0.305 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(Cl)C2)[C@H]2CS(=O)(=O)C[C@H]21 2265377065 KABKFXRENKRUOE-NEPJUHHUSA-N 429.948 -0.128 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncc(Br)s2)n(C)c1=O 765423071 HGJQSMCHSSNKRH-UHFFFAOYSA-N 442.255 -0.886 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\Cn3cncn3)CC2)cc1 1137298840 DGASWRGEPMFCRV-IHWYPQMZSA-N 447.521 -0.703 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/C(=O)N(C)C)CC2)cc1 1149623201 VZVQTERKHWFRIT-CMDGGOBGSA-N 437.522 -0.907 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)[C@H]3CCN3C3CCOCC3)CC2=O)cn1 1638870856 KCQYVMHPTLBJLX-RHSMWYFYSA-N 434.497 -0.717 50 10 IBGE Cn1nc(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c(B(O)O)c1Cl 2281652657 IEEBIJLKCHPNLK-ZDUSSCGKSA-N 436.661 -0.479 50 10 IBGE O=C(NCC1CN(S(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1)C(F)(F)F 2282727908 AXDARMWSXKEIGF-UHFFFAOYSA-N 435.016 -0.028 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccccc2C(F)(F)F)n(C)c1=O 765723983 GRPSXCZFWXLDNL-UHFFFAOYSA-N 438.366 -0.157 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@H](O)C1 2282380685 MUQNPHLBYSMSCN-NXEZZACHSA-N 440.736 -0.270 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n(C)c1=O 1445551555 NVHVEYDVRMJFKU-NWDGAFQWSA-N 432.387 -0.337 50 10 IBGE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc1F 762474907 KVJGMRQNZZFVOL-CYBMUJFWSA-N 425.460 -0.298 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCCC3=O)nc2)CC1 781946687 BNOMRYFQAZOREH-UHFFFAOYSA-N 439.542 -0.344 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnn4c3CCC4)CC2)cc1 1622153579 KYBNUTCJQSLGKP-UHFFFAOYSA-N 446.533 -0.095 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[C@H]1COCCO1 745998654 NIJCSHDMJFXMSI-CQSZACIVSA-N 432.886 -0.198 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1nn(C)c(C(F)(F)F)c1Br 1160733858 YNXGATTUWAISII-SCSAIBSYSA-N 436.210 -0.100 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(O)n(C)n3)CC2)cc1 1445552334 PLDBYIPBPYGZOV-UHFFFAOYSA-N 436.494 -0.798 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1COCCO1 746004414 WLMWGWGXJKRQEP-ZDUSSCGKSA-N 434.421 -0.573 50 10 IBGE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 805068522 OANAGOYDPANJFP-HNNXBMFYSA-N 439.542 -0.163 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CN(c3ccncn3)C2)cc1 1684722762 JDKQAMSJUIWHFW-UHFFFAOYSA-N 433.494 -0.375 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc([C@H]3CCCOC3)cc2)n(C)c1=O 779935402 IFZWLUQSGQCTBF-HNNXBMFYSA-N 440.460 -0.211 50 10 IBGE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1178420891 QZELKMWSORPBEC-KRWDZBQOSA-N 449.533 -0.018 50 10 IBGE O=C1CN(CC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CCN1 1540501955 DIVMPVBDWOEQOH-UHFFFAOYSA-N 437.503 -0.258 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1610347970 SPUKHHXQZVLEIV-MRVWCRGKSA-N 430.458 -0.179 50 10 IBGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)ccc1=O 1636483303 ZNFULAVLDSBFKQ-UHFFFAOYSA-N 443.279 -0.113 50 10 IBGE CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(Br)cn1C 747905708 JMJITNBOZZWRLV-UHFFFAOYSA-N 425.305 -0.107 50 10 IBGE CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)[C@H]3COCCO3)c2)CC1 756213151 SZAJSAVJSWSMBL-OAHLLOKOSA-N 427.483 -0.809 50 10 IBGE CN(C)S(=O)(=O)N1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 811872457 NZSPAEWETXKUCL-UHFFFAOYSA-N 432.528 -0.967 50 10 IBGE COCC[C@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 812573558 PVGZQUFHEVAPIV-OAHLLOKOSA-N 444.510 -0.297 50 10 IBGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1530203211 AXEQLHPJCXXORU-TZMCWYRMSA-N 427.479 -0.098 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)c1 1586905258 JXFNGTLTBLJBLN-AWEZNQCLSA-N 448.505 -0.125 50 10 IBGE COC(=O)C1=CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 1682726852 JJBPAGGAECMHCK-AWEZNQCLSA-N 438.510 -0.094 50 10 IBGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2n[nH]cc2B(O)O)C1 2255763519 MOMXRKQZIIIRJC-MRXNPFEDSA-N 443.313 -0.059 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2scc(B(O)O)c2C1 2336446552 IGDDWZXGXMVHSS-UHFFFAOYSA-N 434.304 -0.198 50 10 IBGE Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CC2)cn1C 765731438 IPCQLODIARKAJX-INIZCTEOSA-N 448.505 -0.221 50 10 IBGE CCn1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 814784131 HERKOVXAOVSUBH-UHFFFAOYSA-N 436.494 -0.287 50 10 IBGE Cn1cccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O 729509443 OMRXSMBCXSWYBZ-UHFFFAOYSA-N 448.501 -0.200 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COC(F)(F)F)CC2)cc1 1629793041 LJOARXVSVREEQY-UHFFFAOYSA-N 438.428 -0.015 50 10 IBGE Cn1nc(C(=O)NNC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c2ccccc2c1=O 1540305397 RGPPKOJPUOHKRM-MNOVXSKESA-N 432.380 -0.082 50 10 IBGE O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1CCC(=O)N1 1633924434 AJFDFVLSFNNYMG-NSHDSACASA-N 433.284 -0.457 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2nccnc2B(O)O)C1 2256065230 WYTIGLKLADWODV-UHFFFAOYSA-N 442.281 -0.219 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(B(O)O)ccc3F)cc2)CC1 1632134318 QJRXHHVRTSCYBL-UHFFFAOYSA-N 436.274 -0.802 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 745981438 UZZOZNUVROQLGG-ZDUSSCGKSA-N 433.870 -0.463 50 10 IBGE C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)c1ccccc1 765728887 AEMLQJRQCQVZEV-GFCCVEGCSA-N 426.433 -0.510 50 10 IBGE O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 798314287 FFRHJEFYSGGPTI-OUAUKWLOSA-N 428.433 -0.011 50 10 IBGE O=C(NCCO[C@@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1479414107 UNNWEAVKOBQNMO-OAHLLOKOSA-N 442.494 -0.543 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCSS(C)(=O)=O)c2)CC1 1636465322 JQPUZKDYLCOUKY-UHFFFAOYSA-N 449.576 -0.038 50 10 IBGE CN(C)S(=O)(=O)C1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1676086899 HIRUGYCXYPPAHP-UHFFFAOYSA-N 432.528 -0.652 50 10 IBGE CC(N)=C(C#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2053515323 OQYLIESPWVBLJS-BXUZGUMPSA-N 438.418 -0.413 50 10 IBGE CC(C)(C)OC(=O)N1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282425999 WSECJOREBRZISL-VIFPVBQESA-N 440.736 -0.005 50 10 IBGE CSCCNC(=S)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 770247210 MBYORTORAKJSOJ-JHJVBQTASA-N 436.625 -0.046 50 10 IBGE CCOC(=O)[C@@H](CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)=O 1629792956 IZIJTDARAHYKCX-KRWDZBQOSA-N 432.477 -0.250 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1 1639068710 MDZOVBGNQHVXPE-DOTOQJQBSA-N 440.570 -0.420 50 10 IBGE CON(C)C(=O)[C@H](C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1683125300 SJIPPJSHWWPPJV-LBPRGKRZSA-N 429.503 -0.948 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)cc1 1687429369 IXWRDTMJWHDKNI-OAHLLOKOSA-N 437.522 -0.043 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 816886400 WOZDZMYWTMHIGO-STQMWFEESA-N 426.433 -0.188 50 10 IBGE Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(C#N)n1C 914503239 BOLROYZMDRZTMN-GZTJUZNOSA-N 432.506 -0.167 50 10 IBGE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884141 RWQRGFGFHIVADK-CYBMUJFWSA-N 435.510 -0.185 50 10 IBGE CC[C@@H](NC(C)=O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1465790819 VWPSLRFBIFMTOS-QGZVFWFLSA-N 439.538 -0.637 50 10 IBGE CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 788936332 AEDFAXYUBIQJHF-IRXDYDNUSA-N 439.538 -0.533 50 10 IBGE O=C(NNC(=O)c1cnc(I)c(O)c1)N[C@@H]1CCS(=O)(=O)C1 1142193614 PYGHCQMURQWDON-SSDOTTSWSA-N 440.219 -0.477 50 10 IBGE CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1178416565 IHSLZUNQUHTEGS-INIZCTEOSA-N 426.495 -0.117 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccnc1OCCO 1545423917 GFZWWPHYYJBFKW-UHFFFAOYSA-N 427.461 -0.328 50 10 IBGE O=C(COCC(=O)N1CCN(S(=O)(=O)CBr)CC1)NCc1cccnc1 1566973167 ADROMIGAVHENNL-UHFFFAOYSA-N 449.327 -0.459 50 10 IBGE O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)NCc3ccccc3)c2)CCN1 787375355 ZBEKPPBPLPZCST-UHFFFAOYSA-N 431.474 -0.049 50 10 IBGE O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)[C@H]1Cc2ccccc2O1 732244070 AMHKCHQXCPZORN-GOEBONIOSA-N 426.495 -0.191 50 10 IBGE COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 807577920 OOKYXYUIGAAMRN-CYBMUJFWSA-N 429.499 -0.325 50 10 IBGE O=C(Cn1nc(Br)c(Br)n1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1463790497 DNZNSJVYAVJGEX-RXMQYKEDSA-N 445.093 -0.615 50 10 IBGE CS(=O)(=O)c1cccnc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1630996887 YOAVBAXMJMVASW-UHFFFAOYSA-N 445.501 -0.296 50 10 IBGE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3ccccn3)CC2)C[C@@H](C)O1 729231166 GJKSOAZLLIRRRT-HUUCEWRRSA-N 440.526 -0.664 50 10 IBGE Cc1occc(=O)c1OCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1457671605 PLKJKBZWILCNMQ-UHFFFAOYSA-N 437.478 -0.199 50 10 IBGE CNC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1542262831 XIIHZYYILIPAJB-LLVKDONJSA-N 435.300 -0.058 50 10 IBGE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2285474875 WVYAKMUVJWBYAM-RWMBFGLXSA-N 427.951 -0.286 50 10 IBGE O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1=NN2CCCN=C2N1 1135410133 QUQIAMIUMOUGSE-UHFFFAOYSA-N 433.494 -0.399 50 10 IBGE COc1ccc(S(=O)(=O)N2CC(NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2)cc1 1672518300 LYPITVVRUAQIDN-MRXNPFEDSA-N 432.524 -0.551 50 10 IBGE Cn1nnc(B(O)O)c1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2255515295 VRTKSJZGFNUKSQ-UHFFFAOYSA-N 435.293 -0.304 50 10 IBGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(B(O)O)s1)OCc1ccccc1 2267204657 HLNZNXVZARWXCJ-UONOGXRCSA-N 440.308 -0.210 50 10 IBGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccc(F)cc1)C=2C(=O)N(C)C 254488072 OWTNFWXDYZIBMF-HNNXBMFYSA-N 428.445 -0.310 50 10 IBGE CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1629391396 POPAEWAVRNPBME-OAHLLOKOSA-N 425.530 -0.743 50 10 IBGE O=C(N[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B(O)O)OCc1ccccc1 2255885241 MYLUNTIKFOARDW-OLZOCXBDSA-N 425.297 -0.300 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)CC1 814310230 OHKPLCJOEFRZOD-CQSZACIVSA-N 436.517 -0.276 50 10 IBGE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3ccc(=O)n(C)c3)CC2)c1 1463154871 AVVKFXDVKZZXSC-UHFFFAOYSA-N 447.517 -0.393 50 10 IBGE Cc1nc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)ncc1B(O)O 2189865637 HZCBWZVBNHWUCX-UHFFFAOYSA-N 432.267 -0.327 50 10 IBGE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)N(C)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 257533675 RONDBEFCNSGQHT-QRTUWBSPSA-N 433.370 -0.608 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)[C@H]1c1ccnn1C 1440417690 QJGQRNILPMMBQD-NXHRZFHOSA-N 429.433 -0.304 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2)CC1 1529790423 SEJHKIACDWBMFM-CXAGYDPISA-N 438.506 -0.275 50 10 IBGE CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCN3C3CCOCC3)cc2S1(=O)=O 1635371513 DXUXMKKGGDOTRW-OAHLLOKOSA-N 436.490 -0.135 50 10 IBGE O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)[C@@H]1COCCO1 745408992 YPKYSYDTCJBNIG-LBPRGKRZSA-N 434.496 -0.985 50 10 IBGE O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1COCCO1 760362538 NQINLDMDOPQLKQ-OAHLLOKOSA-N 433.508 -0.414 50 10 IBGE CCCC(=O)NCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765727286 HKGORTMRSNNRCW-UHFFFAOYSA-N 439.538 -0.635 50 10 IBGE Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)NNC(=O)C(C)C)CC2)cc1 1167771876 BRDHITRTZDLRJO-UHFFFAOYSA-N 425.555 -0.306 50 10 IBGE O=C(c1cc(B(O)O)ccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1587369174 DJLKHFWXMCGLRF-UHFFFAOYSA-N 428.197 -0.070 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1307936312 GIHNFVQRSATEHC-CFVMTHIKSA-N 431.898 -0.147 50 10 IBGE O=C(NNC(=O)[C@H]1CCN1C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 1471977962 ZNUCJCHDZXZQOK-CQSZACIVSA-N 442.494 -0.685 50 10 IBGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3ccc(B(O)O)s3)C2)C1 2282706235 JMKQFJFUCITGSJ-UHFFFAOYSA-N 436.342 -0.165 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2282712774 VQWGDBBYXXWYCU-UHFFFAOYSA-N 440.378 -0.716 50 10 IBGE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1135417290 XZUIPCZFPKNBDK-SMDDNHRTSA-N 425.511 -0.204 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1296988611 WEYWKEVIXUAZGN-RBSFLKMASA-N 429.543 -0.916 50 10 IBGE O=C(NNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1COCCO1 746003285 OVOZUJSOQNYKEQ-UKRRQHHQSA-N 430.458 -0.275 50 10 IBGE O=C(NNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)[C@H]1CCS(=O)(=O)C1 758146606 QASNEJNSMLCRGR-ZDUSSCGKSA-N 427.504 -0.344 50 10 IBGE CSCc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 765727113 JKBGCSWDBMLTKH-UHFFFAOYSA-N 434.453 -0.103 50 10 IBGE CN(C)c1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766634082 DHBDWTGXTSDUOB-UHFFFAOYSA-N 427.465 -0.720 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(B(O)O)ccc2F)C1 1177462640 UVXGGKFNKKUKAH-ZDUSSCGKSA-N 444.290 -0.341 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1n[nH]cc1F 1624363687 YJMJUBUCDJLSTB-UHFFFAOYSA-N 425.442 -0.037 50 10 IBGE C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673443008 OHJCLMKEVVHAMN-FZMZJTMJSA-N 440.478 -0.414 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 22424835 PSJXCYSOJGCYRK-UHFFFAOYSA-N 449.059 -0.139 50 10 IBGE CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 1080323715 OIETWOPVQBCWNK-HNNXBMFYSA-N 426.454 -0.783 50 10 IBGE O=C(COCc1ccnc(O)c1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1635501242 ZQOCCRPLOJOOEA-UHFFFAOYSA-N 427.461 -0.091 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1646096031 KHUJJOSLYMLBTM-UKRRQHHQSA-N 431.898 -0.003 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(B(O)O)cc1F 2283678150 KFAMBRUOIJKHSY-KRWDZBQOSA-N 439.205 -0.333 50 10 IBGE O=C(CN1CCCC2(CCCN(CC(=O)NNC(=O)C3CC3)C2)C1)NNC(=O)C1CC1 810054176 GZTHBRLVKMXIBM-UHFFFAOYSA-N 434.541 -0.721 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1294209000 PADZKPZUPRWSMU-QWHCGFSZSA-N 447.535 -0.150 50 10 IBGE CC[C@@H](NC(C)=O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1524057145 WBBVTAOLTLXDHJ-QGZVFWFLSA-N 440.522 -0.298 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 744641129 ADSPALFPWFTCDO-CQSZACIVSA-N 433.433 -0.072 50 10 IBGE C[C@](O)(Cn1ccccc1=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 790816966 GXWMVJWRVQWEBS-IBGZPJMESA-N 436.490 -0.237 50 10 IBGE COCCOCc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 807975555 BLYAIAJGGKEQOO-UHFFFAOYSA-N 428.449 -0.253 50 10 IBGE Cc1cncn1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1354835724 NBLZZIGJQXNCRF-UHFFFAOYSA-N 435.506 -0.007 50 10 IBGE CO[C@H]1COCC[C@H]1CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1472517980 UCVQDCSOZKTMRC-GJZGRUSLSA-N 427.527 -0.098 50 10 IBGE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1478951429 XICVBAOWPQGTMH-DLBZAZTESA-N 439.538 -0.659 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)CC)c1 1540250585 NUZZROWUOHDKPG-UHFFFAOYSA-N 434.540 -0.240 50 10 IBGE NS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 1566281698 UOWHRLCEHFTZRE-UHFFFAOYSA-N 429.930 -0.574 50 10 IBGE CNC(=S)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1642163406 XAYNXJPWEYRMNW-BRADTZPFSA-N 448.592 -0.153 50 10 IBGE CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccccc2Br)CC1 749351543 DFGUYAQLLVKXGX-UHFFFAOYSA-N 448.343 -0.030 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1C[C@H]2COC[C@@H](C1)C2=O 765739243 RKKXBIBTKSEYIY-AYHJJNSGSA-N 428.489 -0.167 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C[C@@H](C)O)CC2)cc1 1299007097 JTOKMLHONQPMOB-MRXNPFEDSA-N 426.539 -0.048 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1457464519 OASNNSJMBCFSCT-UHFFFAOYSA-N 432.524 -0.486 50 10 IBGE CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H]1C[C@H]1F)c(=O)n2Cc1ccccc1 1463947101 AFHNLIQKZDJRFZ-UONOGXRCSA-N 428.424 -0.067 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 1630867050 QPJYMXFEESMMEH-XFXZXTDPSA-N 429.520 -0.109 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)c1cc(I)ccc1-n1cnnn1 744640800 DHUIHIJVWRDRNN-LLVKDONJSA-N 444.189 -0.557 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(CS(C)(=O)=O)COC3)cc2)CC1 1596692345 GXMZBOXHXCSMKU-UHFFFAOYSA-N 446.551 -0.873 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccn(-c3ccccc3)n2)n(C)c1=O 766642337 FHNQRORMCIXRNL-UHFFFAOYSA-N 436.432 -0.991 50 10 IBGE Cn1c(O)ncc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1=O 766670268 VSDDZMRCKYNGKZ-UHFFFAOYSA-N 434.884 -0.282 50 10 IBGE C[C@]1(CCCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)NC(=O)NC1=O 1445562929 AFMWAQSRLOSJMS-OAQYLSRUSA-N 444.492 -0.640 50 10 IBGE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1456039125 SPJLZRDODGZTPT-IUODEOHRSA-N 442.542 -0.896 50 10 IBGE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NNC(=O)c1ccccc1Cl 1473681255 IKOFQXXVVQZQNA-GWCFXTLKSA-N 437.840 -0.731 50 10 IBGE O=C(NNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)N[C@@H]1CCS(=O)(=O)C1 726767125 XYSPWMYRRJUXED-MRVPVSSYSA-N 425.872 -0.209 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C)ccc3=O)CC2)cc1 1635500850 POSRLSNGCMULOW-UHFFFAOYSA-N 447.517 -0.539 50 10 IBGE CN1C(=O)[C@H](O)[C@H](C(=O)NNC(=O)CN2CCCc3ccccc32)[C@H]1c1cnn(C)c1 1618713754 KCENRCFQNKRRSY-GUDVDZBRSA-N 426.477 -0.490 50 10 IBGE O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@H]1COCCO1 746023281 ZDTCMSBMFNBAGI-LLVKDONJSA-N 433.202 -0.416 50 10 IBGE O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781994278 LUMWWAMCQOVPBX-KWCYVHTRSA-N 433.870 -0.973 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1626426607 DUNQQVMGGMUTKD-UKRRQHHQSA-N 448.476 -0.031 50 10 IBGE O=C(NCCS(=O)(=O)N1CCCC1)NNC(=O)C1CCN(c2ncccn2)CC1 1676362683 PXOOOXJJRMEHHG-UHFFFAOYSA-N 425.515 -0.551 50 10 IBGE Cn1cc([C@@H]2[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC(=O)N2C(C)(C)C)cn1 794888368 GBTCCAYEJKHENG-CORIIIEPSA-N 425.511 -0.310 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1296988615 WEYWKEVIXUAZGN-SOUVJXGZSA-N 429.543 -0.916 50 10 IBGE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)C2=O)cc1 816881731 NZZLKSMJDQCPSH-ZUOKHONESA-N 425.449 -0.236 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C\C(=O)N(C)C)CC2)cc1 1149623203 VZVQTERKHWFRIT-HJWRWDBZSA-N 437.522 -0.907 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCNC1=O 1618795650 NZPGETIOWKRVRM-INIZCTEOSA-N 438.506 -0.686 50 10 IBGE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCSS(C)(=O)=O)s1 1636470801 TXDMOVFQNNQNHX-UHFFFAOYSA-N 429.567 -0.529 50 10 IBGE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@@H]1NC(=O)OC(C)(C)C 2282731850 XIIFFMVDNGFPEJ-VHSXEESVSA-N 440.736 -0.006 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc3ccccc23)n(C)c1=O 765121699 BWXRQJMMTUWLBO-UHFFFAOYSA-N 442.457 -0.403 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)C2=Cc3ccccc3CC2)n(C)c1=O 765123265 HOZWKZGKFHPPCD-UHFFFAOYSA-N 444.473 -0.628 50 10 IBGE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CC1=O 1159504129 GCUZFNKIXFXWJY-PMUMKWKESA-N 441.488 -0.082 50 10 IBGE CON1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1470558907 PCQVDXGPKSCAFL-UHFFFAOYSA-N 441.510 -0.323 50 10 IBGE NS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 1622159381 LCJPFNBBJNFMFF-UHFFFAOYSA-N 429.930 -0.574 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1 1639068713 MDZOVBGNQHVXPE-WBVHZDCISA-N 440.570 -0.420 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ncc(Br)cc1B(O)O 2231671829 GIUQFOXRXLUYCR-SDDRHHMPSA-N 432.080 -0.723 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1290255773 FFARDHHSQFPBSK-CQSZACIVSA-N 427.502 -0.398 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCSc2ccccc2F)n(C)c1=O 765726803 GHWJFUMQVAKMBO-UHFFFAOYSA-N 434.453 -0.097 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)cc1 1558896742 DIEXXAIPKQKVEQ-KRWDZBQOSA-N 448.505 -0.002 50 10 IBGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1628913168 YDCUUSCLUBQCDZ-STQMWFEESA-N 431.511 -0.015 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)[C@H]1c1ccnn1C 1587409885 BZGRMYBXXHJBOK-SJORKVTESA-N 436.513 -0.202 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1646096029 KHUJJOSLYMLBTM-DZGCQCFKSA-N 431.898 -0.003 50 10 IBGE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 748278423 ACFITTSAWISOTB-QGZVFWFLSA-N 434.474 -0.189 50 10 IBGE CS(=O)(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767848553 BRROJMHQANCYFK-UHFFFAOYSA-N 427.364 -0.949 50 10 IBGE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 806034017 RXYMGQAODFLATK-CYBMUJFWSA-N 427.483 -0.327 50 10 IBGE CN(CC(=O)NNC(=O)CS(C)(=O)=O)S(=O)(=O)c1ccc(Br)cc1 1586191020 FPJZZYMIITUPIR-UHFFFAOYSA-N 442.313 -0.738 50 10 IBGE Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(C#N)n1C 914503238 BOLROYZMDRZTMN-BOPFTXTBSA-N 432.506 -0.167 50 10 IBGE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1456039127 SPJLZRDODGZTPT-SWLSCSKDSA-N 442.542 -0.896 50 10 IBGE Cc1nc(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c(B(O)O)n1C 2282869216 ZHPNKBIZOZKJBI-UHFFFAOYSA-N 436.299 -0.512 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1C 746004105 UHXQFVJAZMCKQN-INIZCTEOSA-N 426.495 -0.234 50 10 IBGE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc1F 749771696 OMDAOHTXKWPMLQ-CYBMUJFWSA-N 425.460 -0.299 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)/C=C2/SCC(=O)N2C)CC1 1306648087 AOOQSJSQZPROTO-XNTDXEJSSA-N 426.524 -0.493 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCc4nnc(O)n4C3)cc2)CC1 1596692242 FJNOCKGKSFYEHK-ZDUSSCGKSA-N 435.510 -0.375 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cn(C)c3ccc(F)cc23)n(C)c1=O 797742480 JLQLCHQSUSHYBY-UHFFFAOYSA-N 427.396 -0.474 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1456022583 ZNASVRKOXXKJMF-FPVZYODXSA-N 436.465 -0.304 50 10 IBGE CN(C)S(=O)(=O)C1(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1471353228 UQSLZVNPJPMQJY-UHFFFAOYSA-N 425.515 -0.553 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccc(B(O)O)c1 1587985606 IWIVLMROTSXGQV-UHFFFAOYSA-N 430.701 -0.401 50 10 IBGE CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1923611387 CDIWKHIMEVMLHQ-UHFFFAOYSA-N 426.451 -0.242 50 10 IBGE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2339943296 NQSWECQLTOCGAX-MRVPVSSYSA-N 428.725 -0.101 50 10 IBGE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 1295729729 HZGPNDFCXWCUAE-UHFFFAOYSA-N 442.332 -0.205 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cnn(C[C@@H](O)CO)c3)CC2)cc1 1465792327 YOBXGEKDELPQFY-LJQANCHMSA-N 430.509 -0.876 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@H]1CCN1C1CCOCC1 1638870864 KGCMMZYDGXUGKQ-MRXNPFEDSA-N 428.486 -0.105 50 10 IBGE CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@]3(C)C[C@@H]3Br)CC2)CC1 1313064720 VKQSESSGBZIRPY-ZFWWWQNUSA-N 438.392 -0.021 50 10 IBGE CC(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1465412840 AVFAGALTONBBOB-HNNXBMFYSA-N 434.540 -0.276 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1465791575 IGGATTJYGXWGDG-SFHVURJKSA-N 427.505 -0.007 50 10 IBGE Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)n1 1643359690 ADNCXOLKUNBLQC-UHFFFAOYSA-N 425.511 -0.373 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n(C)c1=O 765731903 SPJUNXMMLHKSRB-LBPRGKRZSA-N 432.824 -0.762 50 10 IBGE CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1465791961 PKNOVXHVIJSLFA-INIZCTEOSA-N 425.555 -0.412 50 10 IBGE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1Br 1470765497 YTCCFBSXSBQYRS-JQWIXIFHSA-N 436.284 -0.030 50 10 IBGE Cn1nc(C2CC2)nc1CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1545424081 LMAHRWGFYMZTEL-UHFFFAOYSA-N 425.493 -0.160 50 10 IBGE CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1674902416 LJINMOBFBUCLQH-GFCCVEGCSA-N 427.483 -0.177 50 10 IBGE O=C1O[C@@H]([C@H](O)CO)C(=N/NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 15775086 DQSKDXHDAZGSHT-JAPXTXSRSA-N 442.384 -0.752 50 10 IBGE CSCC[C@@H](O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1628671511 AIWXMVUJJBQZPB-MRXNPFEDSA-N 445.563 -0.099 50 10 IBGE CC[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H](C)O 1641363489 ICEMBNBCZCHWKI-RDJZCZTQSA-N 426.539 -0.144 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCc4nc[nH]c4C3)nc2)CC1 812555802 LKVZMYOMLRZICM-CYBMUJFWSA-N 434.526 -0.076 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 912953170 TUJMBMQHBIRCTE-MWLCHTKSSA-N 447.311 -0.416 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCOC[C@H]1CNS(C)(=O)=O 1647933289 DYCBUXXJCKFULA-GFCCVEGCSA-N 434.902 -0.640 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CCOc2ncc(Br)cc2B(O)O)C(=O)C1 2240323356 WVAZCNNJWKERSP-UHFFFAOYSA-N 444.091 -0.018 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B(O)O 2243396272 KCCJSZLVZUTAQR-UHFFFAOYSA-N 427.267 -0.763 50 10 IBGE CC(C)(C)OC(=O)NCCN(CC(=O)N=c1nc(B(O)O)[nH]s1)Cc1ccccc1 2243668193 NBSHYJXYVWFZHM-UHFFFAOYSA-N 435.315 -0.395 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)c1cccnn1 1288360204 LGYWTMAXPWQFPB-UHFFFAOYSA-N 448.505 -0.114 50 10 IBGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ncccn2)cc1 1536595440 HYWYKLCPDNDXPV-UHFFFAOYSA-N 437.478 -0.165 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COCC(F)F)CC2)cc1 1545424065 KQZFZVVXRISUGI-UHFFFAOYSA-N 434.465 -0.270 50 10 IBGE CC[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H](C)O 1641363488 ICEMBNBCZCHWKI-NVXWUHKLSA-N 426.539 -0.144 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cc(B(O)O)cs1 2108233550 HPFPHRMBSKRIIS-KRWDZBQOSA-N 440.283 -0.128 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1COCCO1 746004405 WLMWGWGXJKRQEP-CYBMUJFWSA-N 434.421 -0.573 50 10 IBGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(OC)c1)C=2C(=O)N(C)C 1080323726 SKPSGTBVFBKUIX-MRXNPFEDSA-N 440.481 -0.441 50 10 IBGE CN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)NC1=O 1135697511 JBQMDWBDIDMJLW-MRXNPFEDSA-N 431.474 -0.050 50 10 IBGE CCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635822 GCOOGKZZVQZCDK-MRXNPFEDSA-N 433.534 -0.097 50 10 IBGE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)Cc1ccccn1 1537694459 PVEIHKRURYSZLI-UHFFFAOYSA-N 425.488 -0.096 50 10 IBGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1cscc1B(O)O)OCc1ccccc1 2267624114 SWEKRTWTFKKVCQ-GJZGRUSLSA-N 440.308 -0.210 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2coc(Br)c2)n(C)c1=O 765729187 VBLBPSUKVGFQDV-UHFFFAOYSA-N 425.199 -0.750 50 10 IBGE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@H]2COCCO2)C1=O 769964266 QDTIUSMEBSKKOT-SJKOYZFVSA-N 428.804 -0.191 50 10 IBGE C[C@H]1[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 1313317034 VKEFZMBVXPFCDF-XJKSGUPXSA-N 425.511 -0.256 50 10 IBGE CCNC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 761789947 GSIITTAJCILCFE-ZDUSSCGKSA-N 426.499 -0.315 50 10 IBGE CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 814879422 UXOXICWJDFIEKP-UHFFFAOYSA-N 447.521 -0.554 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(CO)nc1 1135611060 LOLBHLNYPRYQIX-UHFFFAOYSA-N 448.501 -0.011 50 10 IBGE COC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)O1 1264245348 REFVQHWQWFSOGL-CABCVRRESA-N 425.463 -0.047 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1471964345 GUNOQYHKNKPEQH-LBPRGKRZSA-N 425.467 -0.359 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267627198 UWBKJOKUVGKOGR-IUCAKERBSA-N 426.709 -0.348 50 10 IBGE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267629610 ZSQUXPRUIVVMDL-UHFFFAOYSA-N 428.725 -0.411 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NCCOCCF 1470933696 RRMSQCDYHTWKML-UHFFFAOYSA-N 446.501 -0.043 50 10 IBGE CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1566434837 GEBQRIOEQCSRFQ-UHFFFAOYSA-N 440.594 -0.773 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)c2cc(I)ccc2-n2cnnn2)N1 1588263584 YWGCMKCPUOGFSP-VIFPVBQESA-N 441.189 -0.694 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@](Oc2ncc(Br)cc2B(O)O)(C(N)=O)C1 2231662718 GHTOBLYLSDTRQP-OAHLLOKOSA-N 430.064 -0.232 50 10 IBGE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)C(C#N)=Cc1cccc(Br)c1 2324521733 QKPFAWNNLAVRKK-FZKCQIBNSA-N 429.267 -0.750 50 10 IBGE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CCCC1 1312942878 NIKCUDXUCPMIDC-DZGCQCFKSA-N 425.577 -0.678 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1478944761 HYCMNZPPLCFLTQ-CQSZACIVSA-N 428.511 -0.197 50 10 IBGE O=C(N[C@]1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCOC1)OCc1ccccc1 779756740 UHOOFSCLCPBIAY-KBXCAEBGSA-N 425.463 -0.346 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[C@@H]3CC(=O)N(C)C3)nc2)CC1 1255498962 PMSLMNDXTYGBNR-CQSZACIVSA-N 439.542 -0.488 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O 1545424181 PMSPRLJCJVZNLO-NNZMDNLPSA-N 448.545 -0.052 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1683673379 DSLDXXAXZYQDJD-OAHLLOKOSA-N 438.554 -0.395 50 10 IBGE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c1 745979457 RAUYRUMSMIPTKF-ZFDPJTLLSA-N 430.435 -0.385 50 10 IBGE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 840565968 JULJUJUEQLWJPI-ZDUSSCGKSA-N 447.535 -0.322 50 10 IBGE O=C(NNC(=O)c1cccc2ncnn12)c1cccc(S(=O)(=O)N2CCOCC2)c1 1457485703 CVDNWTADCAMHSO-UHFFFAOYSA-N 430.446 -0.175 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1540554954 SLFKBMKKBBNBRQ-CABCVRRESA-N 425.463 -0.394 50 10 IBGE CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1545424243 SFPGEMYIHXINDI-KRWDZBQOSA-N 439.538 -0.834 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1641246978 NIYSCADNLLANHM-RDDDGLTNSA-N 434.268 -0.384 50 10 IBGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1sccc1B(O)O)OCc1ccccc1 2267201689 RQCSCUGTAQCDKH-CABCVRRESA-N 440.308 -0.210 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)c1 1135322570 FIYSZWMBIRRSAR-OAHLLOKOSA-N 440.522 -0.029 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCCCC(=O)C3=O)CC2)cc1 1294590485 LMCGTAREPNTKNT-UHFFFAOYSA-N 429.521 -0.158 50 10 IBGE CSCCNC(=S)NNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1466116328 PGILLTRRCPEEPD-UHFFFAOYSA-N 439.606 -0.023 50 10 IBGE CS(=O)(=O)N1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1586785282 QISIEDIKXWHGGH-UHFFFAOYSA-N 444.535 -0.486 50 10 IBGE NS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)COc2ccccc2Br)C1 1633305910 MIIPWJCIKCUICA-JTQLQIEISA-N 435.300 -0.109 50 10 IBGE Cn1nc(B(O)O)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2255793003 QMUBUTZXCYZNET-UHFFFAOYSA-N 445.285 -0.881 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ncc(Br)cc1B(O)O 2333944806 GIUQFOXRXLUYCR-TUAOUCFPSA-N 432.080 -0.723 50 10 IBGE CSCCNC(=S)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 770247432 MBYORTORAKJSOJ-YNEHKIRRSA-N 436.625 -0.046 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3[C@H]4OCCC[C@@H]43)CC2)cc1 780646323 KLOCFIOSTUNFMT-QRQLOZEOSA-N 436.534 -0.126 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)COc2ccccc2OC)[C@H]1c1nccn1C 1290180862 CPNPYDIBGBAHMG-ROUUACIJSA-N 431.449 -0.057 50 10 IBGE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1CCN1C1CCOCC1 1558457457 NEDOVWWWHQPXRJ-OAHLLOKOSA-N 435.506 -0.484 50 10 IBGE CN(CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1)S(=O)(=O)c1ccc(Cl)cc1 814211887 UIAMWJKKULQPKX-LLVKDONJSA-N 426.886 -0.038 50 10 IBGE CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)[C@H]2CCc3nncn3C2)CC1 814310229 OHKPLCJOEFRZOD-AWEZNQCLSA-N 436.517 -0.276 50 10 IBGE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816882796 MOYCDSBBKVEFHG-HWPZZCPQSA-N 428.371 -0.380 50 10 IBGE Cn1cc(/C=C/C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 1322961501 LBIVTOBXKDTPDF-VOTSOKGWSA-N 435.481 -0.108 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N=c1nc(B(O)O)[nH]s1 2338908859 ORDNQEBOSOHUSL-UHFFFAOYSA-N 438.296 -0.762 50 10 IBGE COc1ccc(C(=O)NNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(OC)c1 730025519 JVKPSQJYHQPELT-UHFFFAOYSA-N 433.465 -0.175 50 10 IBGE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1645053326 COEYZRSGSGFJGD-SUMWQHHRSA-N 440.522 -0.640 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2cncc(B(O)O)c2)C1 2282724721 ZVHXPUYUCPYTPG-INIZCTEOSA-N 435.267 -0.923 50 10 IBGE O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)NNC(=O)[C@@H]1COCCO1 754863543 CYLDLEVSLDHRTB-INIZCTEOSA-N 426.495 -0.142 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CCc3ccnn3C)CC2)cc1 773393604 VMTDNCUVZOCALG-UHFFFAOYSA-N 448.549 -0.185 50 10 IBGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)N(C)C 254488073 OWTNFWXDYZIBMF-OAHLLOKOSA-N 428.445 -0.310 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCN2Cc2ccccc2)n(C)c1=O 766633343 AYNRRSGKKNTSBE-OAHLLOKOSA-N 439.476 -0.754 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1135649921 YRXRBPFBKJGESS-QLFBSQMISA-N 448.611 -0.030 50 10 IBGE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 1135990290 LGNBIVWPXPQMJS-IFXJQAMLSA-N 441.506 -0.277 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1648592707 MNDWFODJOSMQBW-AWEZNQCLSA-N 445.567 -0.324 50 10 IBGE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282380873 OYSDVWSWBJVQLX-VHSXEESVSA-N 440.736 -0.006 50 10 IBGE Cc1nc(CC(C)C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 766641627 AZOXWJVZLPPOHU-UHFFFAOYSA-N 433.494 -0.142 50 10 IBGE CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1 1303882786 FXUARNOTQRTOBG-KRWDZBQOSA-N 440.522 -0.686 50 10 IBGE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 1644109253 KWZCOZLXZGLPEM-LBPRGKRZSA-N 447.897 -0.228 50 10 IBGE Cn1cnc(B(O)O)c1C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2300224340 HGBSSVZZSMJNHW-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)[C@@H]3COCCO3)CC2)c1 744645111 QFYUSKONYSUTRJ-INIZCTEOSA-N 426.495 -0.990 50 10 IBGE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2COCCO2)C1=O 769964265 QDTIUSMEBSKKOT-SJCJKPOMSA-N 428.804 -0.191 50 10 IBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1-n1cnnn1 1463791113 HNOURRGOJLPQGV-MRVPVSSYSA-N 429.256 -0.380 50 10 IBGE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1652305056 XHYSKPFBOFFTNB-UONOGXRCSA-N 428.486 -0.157 50 10 IBGE O=C(O)[C@@H](CB(O)O)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338838764 YGYVIBSJDWLDFS-CQSZACIVSA-N 426.256 -0.312 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc(I)c(O)c1 1457616904 ICXXOPZBUXGYSG-RXMQYKEDSA-N 428.208 -0.910 50 10 IBGE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1CCN1C1CCOCC1 1558458076 BOBMPYDBOYUFRS-MRXNPFEDSA-N 449.533 -0.094 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 1632134089 MSKCPOOHZVXUNP-WBVHZDCISA-N 439.538 -0.121 50 10 IBGE Cc1cc(CC(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n[nH]1 1639987918 GDRPWDUVZJMHRK-UHFFFAOYSA-N 427.508 -0.267 50 10 IBGE C[C@]1(NNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCS(=O)(=O)C1 776054407 HGTXLCNWMQGIKO-ZWOKBUDYSA-N 435.550 -0.034 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(=O)n(C)c1 1289430213 COAZUWOCXCOXIL-UHFFFAOYSA-N 434.474 -0.211 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1290040296 IMUDWSBMWWPRJM-CYBMUJFWSA-N 434.478 -0.516 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)c2)CC1 1461152198 XLDKGYKKISKEOL-DYVFJYSZSA-N 438.506 -0.275 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ncc(B(O)O)s1 2108235474 XWNDVSPXVGIJRC-INIZCTEOSA-N 441.271 -0.733 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 2168109828 VZYBVWPTJRLZRW-MROQNXINSA-N 425.935 -0.533 50 10 IBGE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O 2267393268 WEEWVYPOSYMWHS-VWLOTQADSA-N 427.335 -0.725 50 10 IBGE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)N(C)N=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257533674 RONDBEFCNSGQHT-AICCOOGYSA-N 433.370 -0.608 50 10 IBGE Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cnc21 1644572316 QTKZCYIKFUXFIY-IWSPIJDZSA-N 425.243 -0.393 50 10 IBGE C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CN(C)CCN1C 1313423682 GNWGQWKVCMMGCK-CJNGLKHVSA-N 426.543 -0.485 50 10 IBGE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1652301862 RNNMXDXOJVOUSF-WHOFXGATSA-N 446.551 -0.824 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2cc(B(O)O)cs2)C1 2267473509 GYKFXQUCOAURIA-OAHLLOKOSA-N 440.308 -0.256 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(N3CCOCC3)CCC2)CC1 761074898 VMXLVYYUIDDMCJ-UHFFFAOYSA-N 438.554 -0.284 50 10 IBGE CCn1nc(C(=O)NNC(=O)NCCN2CCC3(C2)OCCO3)c2ccccc2c1=O 1685331919 JRBOIGSYVUNJNO-UHFFFAOYSA-N 430.465 -0.191 50 10 IBGE CC[S@@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 741416796 ICEBBUMYVODKPN-HHHXNRCGSA-N 432.524 -0.580 50 10 IBGE Cc1nccnc1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1470331682 MDTIJGFXJKMOOU-UHFFFAOYSA-N 434.526 -0.015 50 10 IBGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2)CC1 1529790426 SEJHKIACDWBMFM-SUMWQHHRSA-N 438.506 -0.275 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742501574 WADYKTJXCKSSOJ-AAXDQBDMSA-N 425.239 -0.289 50 10 IBGE CC(C)O[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 794392137 GPTUASMBFMOWBU-MRXNPFEDSA-N 428.449 -0.253 50 10 IBGE COc1ccc(C(=O)NNC(=O)C2CCOCC2)cc1S(=O)(=O)N1CCOCC1 1462402553 AHJJDHREXVCBKF-UHFFFAOYSA-N 427.479 -0.096 50 10 IBGE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCc1sc(Cl)cc1B(O)O 2369896493 CAVLMMVOTMDODV-SECBINFHSA-N 440.736 -0.365 50 10 IBGE CCc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729817 HLIGRJLMRHAWSR-UHFFFAOYSA-N 440.460 -0.193 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1682173844 IMWWROXBKIBLQN-LBPRGKRZSA-N 430.483 -0.550 50 10 IBGE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3ccccn3)CC2)C[C@H](C)O1 729231165 GJKSOAZLLIRRRT-GJZGRUSLSA-N 440.526 -0.664 50 10 IBGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746305112 BGDYVKWDTCJHAK-LBPRGKRZSA-N 442.314 -0.271 50 10 IBGE COc1cc(C=NNc2nnc(SCC(=O)NNC(C)=O)n2N)cc(OC)c1OC 1084323721 MHPMXSXJVISRJN-UHFFFAOYSA-N 438.470 -0.277 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cn3cccc3)cc2)n(C)c1=O 1319392342 DWKQYRMKKUFEEX-UHFFFAOYSA-N 435.444 -0.255 50 10 IBGE COC(=O)c1cnn(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1558894373 AWCIYOPBRJRORZ-UHFFFAOYSA-N 435.462 -0.085 50 10 IBGE CCn1ccc(CC(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 1566278939 WRPGAEGBQXUYGJ-UHFFFAOYSA-N 448.549 -0.092 50 10 IBGE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1687562253 CPQDTXFXBWPUSG-GOSISDBHSA-N 425.511 -0.858 50 10 IBGE CCOc1c(Cl)cccc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 790783529 FBBOUAGSVQITSD-UHFFFAOYSA-N 448.867 -0.124 50 10 IBGE O=C(NNC(=O)[C@]1(F)CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 1353255800 FJCJHFUHEUKUNM-INIZCTEOSA-N 433.483 -0.241 50 10 IBGE CCN(OC)C(=O)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1470616747 LWGBQZIBXZNULW-UHFFFAOYSA-N 429.503 -0.946 50 10 IBGE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1652305055 XHYSKPFBOFFTNB-KBPBESRZSA-N 428.486 -0.157 50 10 IBGE CO[C@]1(NC(=O)CCl)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21 39427838 IZXZJCSAJLWMHD-DGCLKSJQSA-N 434.887 -0.746 50 10 IBGE COc1ccc(C(=O)NNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 811876852 XAENVWJHAVSKQP-UHFFFAOYSA-N 429.499 -0.128 50 10 IBGE O=C(Cc1cccnc1)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1478781333 RKXMYWQEVAUPPJ-UHFFFAOYSA-N 447.473 -0.201 50 10 IBGE O=C(N[C@H]1CC12CC(NS(=O)(=O)c1cncc(B(O)O)c1)C2)OCc1ccccc1 2282719463 MPPFYTHRFIDKSL-RMXPPQQLSA-N 431.279 -0.113 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2cncc(B(O)O)c2)C1 2282724725 ZVHXPUYUCPYTPG-MRXNPFEDSA-N 435.267 -0.923 50 10 IBGE CN(CC[S@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O)C(=O)OC(C)(C)C 2282742283 AGADCIGEZSJHBV-SANMLTNESA-N 441.362 -0.383 50 10 IBGE C#Cc1cccc(NC(=S)NNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1 1176937411 LMVIIRQXNRJAFV-UHFFFAOYSA-N 425.536 -0.180 50 10 IBGE CCOC(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1290040709 NLEOJHCEHGIZLM-HNNXBMFYSA-N 440.522 -0.027 50 10 IBGE COC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CS(=O)(=O)C1 1617980103 UAMGGILVTZWLMJ-UHFFFAOYSA-N 445.519 -0.564 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cncc(B(O)O)c1 2247772051 ZWORIPIHUUCEMF-UHFFFAOYSA-N 438.290 -0.091 50 10 IBGE CN(CC(=O)NNC(=O)[C@H]1COCCO1)S(=O)(=O)c1ccc(Br)cc1 744652765 NCSOWPNNPJLWAR-GFCCVEGCSA-N 436.284 -0.368 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccc1=O 1536984545 BFHAGOQQDBOBGS-UHFFFAOYSA-N 438.437 -0.380 50 10 IBGE CN1CCO[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1=O 1618594480 RQYYZCUVGISCQD-QGZVFWFLSA-N 446.485 -0.217 50 10 IBGE O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(B(O)O)c1 1628160039 YLOYDAZDJSMVJE-UHFFFAOYSA-N 431.279 -0.384 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncc(Br)cc2B(O)O)(C(N)=O)C1 2231662717 GHTOBLYLSDTRQP-HNNXBMFYSA-N 430.064 -0.232 50 10 IBGE C[C@]1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1Br 1441798313 MYCJTFHYBMCFTM-WZRBSPASSA-N 429.358 -0.179 50 10 IBGE CCOc1ccccc1[C@@](N)(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(F)(F)F 787996355 XRULFITVTXVOAM-LKFCYVNXSA-N 426.417 -0.113 50 10 IBGE Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1=O 726871622 YBMPTULWRMKNFT-UHFFFAOYSA-N 435.462 -0.127 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc([C@H]3CCCOC3)c2)n(C)c1=O 766562826 GMGNYLNULHFGAL-HNNXBMFYSA-N 440.460 -0.211 50 10 IBGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2n[nH]cc2B(O)O)C1 2255763518 MOMXRKQZIIIRJC-INIZCTEOSA-N 443.313 -0.059 50 10 IBGE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O 2267393267 WEEWVYPOSYMWHS-RUZDIDTESA-N 427.335 -0.725 50 10 IBGE COCCN1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1=O 787254917 MVTHAKLKKVNDGF-UHFFFAOYSA-N 426.499 -0.485 50 10 IBGE CCN1C(=O)CO[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[C@H]1c1ccnn1C 1440417688 QJGQRNILPMMBQD-JQHSSLGASA-N 429.433 -0.304 50 10 IBGE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C(C)C)CC1 1653689085 BAGPNXUGFXPFQB-UHFFFAOYSA-N 444.510 -0.207 50 10 IBGE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)CI)C1 1910136901 WAZUAMBUXUHAQI-WDSKDSINSA-N 443.185 -0.437 50 10 IBGE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282380871 OYSDVWSWBJVQLX-NXEZZACHSA-N 440.736 -0.006 50 10 IBGE COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776055350 MIINVGZKRJNSSC-BPQIPLTHSA-N 433.509 -0.033 50 10 IBGE O=C(COc1ccccc1)NN=Cc1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 254745764 NMQTXLJVOYYIFX-RQUKQETFSA-N 432.429 -0.606 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 756031903 LYCYURRGRHWERK-ZDUSSCGKSA-N 432.430 -0.585 50 10 IBGE CCn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(F)(F)F)n1 1326955044 AKTLGYHKHMQXTM-UHFFFAOYSA-N 442.358 -0.870 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NNC(=O)N3CCOCC3)CS(=O)(=O)[C@H]2C1 1544298171 XJMZXJFXVZKSNV-MCIONIFRSA-N 446.526 -0.270 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCc1ccccc1B(O)O 2187755310 BUHBQMORZHREFK-UHFFFAOYSA-N 430.291 -0.095 50 10 IBGE C=C(CS(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1)B(O)O 2282724224 LLDPBOISIUXPHU-SANMLTNESA-N 425.338 -0.160 50 10 IBGE COCCN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1157605766 BPLYPOVBXIJAJM-UHFFFAOYSA-N 442.538 -0.082 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 1469908144 JRGQCLCLDXOMGE-UHFFFAOYSA-N 432.528 -0.876 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COCc2ccnc(O)c2)CC1 1610947913 KGEXTXFQZDWCJW-UHFFFAOYSA-N 436.494 -0.222 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1646096032 KHUJJOSLYMLBTM-ZFWWWQNUSA-N 431.898 -0.003 50 10 IBGE N#CC(=Cc1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296546459 YZXHQNVEQSCWQS-HNNXBMFYSA-N 443.485 -0.259 50 10 IBGE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)CC2=O)C1 1251436488 FZVNUOMDIFYAMF-KPZWWZAWSA-N 445.542 -0.412 50 10 IBGE Cn1nc(C(=O)NNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c2ccccc2c1=O 1479065111 PMMUPEIHRCWNIC-HNNXBMFYSA-N 428.449 -0.343 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1 1532340005 AIHQNONPZPAWCV-UHFFFAOYSA-N 428.858 -0.436 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCCCC(=O)C3=O)cc2)CC1 1566550301 VILULPBEAGIBHZ-UHFFFAOYSA-N 437.522 -0.353 50 10 IBGE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NNC(=O)CN3CCCC3=O)CC2)cc1 1587516234 NRIRWKXZLTUTQD-CMDGGOBGSA-N 429.477 -0.330 50 10 IBGE Cc1c(C=NNC(=O)[C@@H]2COCCO2)c2ccccn2c1C=NNC(=O)[C@H]1COCCO1 771878792 MIRUTGBBQMSHJD-RBUKOAKNSA-N 443.460 -0.021 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1OC 801978963 JLUQTZFWFMETNN-UHFFFAOYSA-N 440.522 -0.035 50 10 IBGE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(B(O)O)c3)CC2)cc1 1632295355 KNFOEVLWYLEFCO-UHFFFAOYSA-N 447.322 -0.743 50 10 IBGE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1 59888343 CYEHDDSZFITVSL-BLLMUTORSA-N 449.419 -0.142 50 10 IBGE CC(C)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1C(C)(C)C 766644601 OJTRMIKXSVURBJ-UHFFFAOYSA-N 444.496 -0.030 50 10 IBGE O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 790324824 ZSTVXUOHKQELDP-DFGXFYAUSA-N 435.502 -0.258 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCc2nnc(O)n2C1 1465791688 JWCBROLLQRBROI-OAHLLOKOSA-N 427.465 -0.849 50 10 IBGE Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1-c1ccccc1 766642339 FHORJZXGYRPUFA-UHFFFAOYSA-N 436.432 -0.611 50 10 IBGE O=C(NNC(=O)c1cc2n(n1)CCCC2=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1638058017 RJYNIFBHHPQTQB-UHFFFAOYSA-N 447.473 -0.045 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 744647886 CQKWNTIDCMABAB-KRWDZBQOSA-N 439.490 -0.147 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)N[C@H]2CCOc3ccccc32)n(C)c1=O 764513137 GHEUYVPVUSTLRP-LBPRGKRZSA-N 443.489 -0.547 50 10 IBGE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)C2)CC1 805165479 KJFGSJLKFNBIFC-GJZGRUSLSA-N 427.502 -0.230 50 10 IBGE CO[C@@]1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CCS(=O)(=O)C1 1147903837 ZPBCEDXGLIYJFQ-INIZCTEOSA-N 433.508 -0.646 50 10 IBGE Cn1cc(C(=O)NNC(=O)Cn2nc(Br)c(Br)n2)ccc1=O 1472185873 CWYMRTBCBIIVER-UHFFFAOYSA-N 434.048 -0.037 50 10 IBGE COCCn1cc(N2C[C@H](C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)CC2=O)cn1 1525085949 ALFGTTUTHHQSDB-CQSZACIVSA-N 449.489 -0.253 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@@H](O)C1 2282359095 JHMFECMVLDVSFD-SCZZXKLOSA-N 440.736 -0.413 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 745999371 WGXXLPINIWAZSG-INIZCTEOSA-N 440.478 -0.648 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)N[C@@H]2CCOc3ccccc32)n(C)c1=O 764513134 GHEUYVPVUSTLRP-GFCCVEGCSA-N 443.489 -0.547 50 10 IBGE Cn1cc(/C=C\C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 773410329 AMJSVBZZIHMQAJ-LJTDUEICSA-N 435.481 -0.108 50 10 IBGE O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@H]1CCc2nncn2C1 816875717 GKJFXNYSCPHQEA-XHSDSOJGSA-N 428.449 -0.240 50 10 IBGE COCCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1307566680 KXQDSVRQVMNWBV-HNNXBMFYSA-N 443.522 -0.010 50 10 IBGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc(Br)cn2)nn1 1587512128 BNHBFOMJHBIBNP-MRVPVSSYSA-N 429.256 -0.380 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(N3CCOCC3)ncn2)cc1 1648386224 CAZYWPBSOKDHSY-UHFFFAOYSA-N 448.505 -0.297 50 10 IBGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 1687210528 FTWLMKPDMSMYDB-GFCCVEGCSA-N 429.499 -0.326 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H]([S@](C)=O)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1 77285972 XSLGFIQRVCXUEU-VDNYMHSESA-N 440.990 -0.595 50 10 IBGE in-vitro COc1cccc([C@H]2C[C@@H]2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765730860 PCIQNZACQBRRQJ-KGLIPLIRSA-N 426.433 -0.607 50 10 IBGE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)COc1ccccc1Br 1470765493 YTCCFBSXSBQYRS-CMPLNLGQSA-N 436.284 -0.030 50 10 IBGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1 1557381562 IGSRDUAFLYEXQH-BPLDGKMQSA-N 426.495 -0.406 50 10 IBGE O=C(N[C@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOC1)OCc1ccccc1 779756748 UHOOFSCLCPBIAY-RDTXWAMCSA-N 425.463 -0.346 50 10 IBGE COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 1460041839 WGMCLOYBHDNTRL-GOEBONIOSA-N 425.482 -0.189 50 10 IBGE O=C1CC[C@H](C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N1 1588263148 SNAFSGJYJUSNBT-CYBMUJFWSA-N 430.870 -0.600 50 10 IBGE Cc1nnc(CN(C)CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C 747337316 OULDIVNEJOWDED-UHFFFAOYSA-N 449.537 -0.199 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2OC(F)(F)F)n(C)c1=O 775542069 GYLMJRDIEVMHPO-UHFFFAOYSA-N 440.338 -0.207 50 10 IBGE O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)N1 1287239071 SNKHSDXDSZQRMP-LBPRGKRZSA-N 430.870 -0.600 50 10 IBGE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NNC(=O)[C@H]1COCCO1)N2C(=O)OC(C)(C)C 1545111626 YJOZIJPMWVEVFW-PDWCTOEPSA-N 427.454 -0.264 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 1586191019 FOBLKMQNBZIBRK-UHFFFAOYSA-N 431.261 -0.203 50 10 IBGE CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1637755743 OTODRZUVZFASLD-HNNXBMFYSA-N 441.529 -0.381 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2187584370 OSFJXXBXLHQYQB-LPWJVIDDSA-N 425.935 -0.533 50 10 IBGE Cc1c(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(B(O)O)nn1C 2281847377 MAFXLVOHEBAFLO-LBPRGKRZSA-N 428.176 -0.005 50 10 IBGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCCN1CCOCC1 2325491170 QAPJKIKDQZBZHH-UHFFFAOYSA-N 433.534 -0.151 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1361112657 DQLJXDRYPMPPBD-LBPRGKRZSA-N 432.886 -0.302 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1139092526 INSVVSIHYGSSPH-CQSZACIVSA-N 426.518 -0.262 50 10 IBGE Cn1cc(C(=O)NNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cn1 1293761317 PQQIAISKCBXDEW-BNOWGMLFSA-N 441.510 -0.149 50 10 IBGE CN(C)CCN(C=C(C#N)C(=O)NCCCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 2324077535 ASKRNJDTUQITOP-QGZVFWFLSA-N 425.555 -0.427 50 10 IBGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B(O)O 2248055794 NMATVDKTCJXMJO-UHFFFAOYSA-N 439.278 -0.696 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2cc(F)ccc2F)n(C)c1=O 761488075 OMGZYAKZXHGRBC-UHFFFAOYSA-N 434.403 -0.118 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)C(C)(C)O 813529878 IUMKUYILEWDBNG-UHFFFAOYSA-N 428.511 -0.447 50 10 IBGE COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)O1 1182821829 CEYIJQWPTCERPM-OLZOCXBDSA-N 427.483 -0.819 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1cncc(B(O)O)c1)OCc1ccccc1 2282714195 OJJVTTDFNNRTLH-IAGOWNOFSA-N 435.267 -0.876 50 10 IBGE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 745999473 YJKBVYTUTRVIPD-KRWDZBQOSA-N 435.481 -0.060 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2COCCN2C)c1 1234559165 OJCCFVANUHYMGE-HNNXBMFYSA-N 427.527 -0.008 50 10 IBGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1COCCN1C(=O)OCc1ccccc1 1540554955 SLFKBMKKBBNBRQ-GJZGRUSLSA-N 425.463 -0.394 50 10 IBGE O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cc(B(O)O)ccc1F 1616564519 COTYPUAFRFVZQZ-HNNXBMFYSA-N 429.261 -0.469 50 10 IBGE CCN1C[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1=O 1636712821 MJGXYPCUEVUSOB-AWEZNQCLSA-N 425.511 -0.186 50 10 IBGE COC(=O)N(C)CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1687070176 SXCFIPHVAILMME-UHFFFAOYSA-N 429.503 -0.658 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2282507463 HZMFBEBQLSQEEF-UHFFFAOYSA-N 434.283 -0.821 50 10 IBGE COc1ccc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)c(Br)c1OC 169893203 CFMWIJZRSXGRQN-YAXRCOADSA-N 427.215 -0.200 50 10 IBGE Cc1c(C=NNC(=O)[C@H]2COCCO2)c2ccccn2c1C=NNC(=O)[C@@H]1COCCO1 771878790 MIRUTGBBQMSHJD-MOPGFXCFSA-N 443.460 -0.021 50 10 IBGE CCOC(=O)C1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCOCC1 803830378 NZNVPOXQZQLWRD-OAHLLOKOSA-N 436.417 -0.123 50 10 IBGE CN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)NC1=O 1135697510 JBQMDWBDIDMJLW-INIZCTEOSA-N 431.474 -0.050 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 1230401672 SMKNEXADIPCKAP-AWEZNQCLSA-N 439.494 -0.071 50 10 IBGE O=C(NNC(=O)[C@H]1CCCCO1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1251731440 HBQBFNMZBQOLSP-OAHLLOKOSA-N 440.478 -0.270 50 10 IBGE O=C(NNC(=S)NCCc1cccs1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1290439758 QZUALHYXXPTHJH-NWDGAFQWSA-N 430.577 -0.179 50 10 IBGE Cn1nc(C2CC2)nc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1306200224 GNBBLYQNDLBQOA-UHFFFAOYSA-N 448.505 -0.283 50 10 IBGE CO[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCOC1 1306201144 ZXPJVRXMRLHLRO-GOEBONIOSA-N 427.479 -0.480 50 10 IBGE CCS(=O)(=O)N(C)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1465797028 SHXIKBFLPNHASQ-UHFFFAOYSA-N 445.973 -0.114 50 10 IBGE O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1626426608 DUNQQVMGGMUTKD-ZFWWWQNUSA-N 448.476 -0.031 50 10 IBGE C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673443007 OHJCLMKEVVHAMN-BXUZGUMPSA-N 440.478 -0.414 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2sccc2B(O)O)C1 2267610493 FXSMOZHPUHIFTG-CQSZACIVSA-N 440.308 -0.256 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 1230401673 SMKNEXADIPCKAP-CQSZACIVSA-N 439.494 -0.071 50 10 IBGE CNC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1542262832 XIIHZYYILIPAJB-NSHDSACASA-N 435.300 -0.058 50 10 IBGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2S(=O)(=O)N1CC(Cl)C1 2265383914 UWWKGSCXUXBUPP-UHFFFAOYSA-N 429.948 -0.126 50 10 IBGE COc1cccc([C@H]2C[C@H]2C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765730864 PCIQNZACQBRRQJ-ZIAGYGMSSA-N 426.433 -0.607 50 10 IBGE COC(=O)c1cnn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 1124503710 GKGUZBZUBFMZLV-UHFFFAOYSA-N 435.462 -0.085 50 10 IBGE COC1(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CS(=O)(=O)C1 1629813900 HQEJZWFMECBMBU-UHFFFAOYSA-N 444.941 -0.581 50 10 IBGE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NNC(=O)C3CCOCC3)CC2=O)C1 1685565771 UHNINOZSSQCOKE-ZDUSSCGKSA-N 425.486 -0.036 50 10 IBGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 765723886 FQQWQIYLGTWPPT-UHFFFAOYSA-N 444.448 -0.769 50 10 IBGE COCCNS(=O)(=O)c1cc(NC(=O)c2cc(B(O)O)ccc2F)ccc1OC 1448789953 XNFSCMJUZGCJQV-UHFFFAOYSA-N 426.231 -0.309 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2CN(C3CCOCC3)C2)CC1 1638390039 IVJNGUGGHADFBU-UHFFFAOYSA-N 438.554 -0.428 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cccc(B(O)O)c1 2164487063 JANCOPNGROZVPT-IBGZPJMESA-N 434.254 -0.190 50 10 IBGE COc1ccc(S(=O)(=O)NCC2CN(C(=O)OCc3ccccc3)C2)cc1B(O)O 2282367879 ITVODOFDLGNAPU-UHFFFAOYSA-N 434.279 -0.078 50 10 IBGE COc1cc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)ncn1 763642118 OYJMADNYDXZDGH-UHFFFAOYSA-N 448.509 -0.045 50 10 IBGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)c1 1135409881 JQZSMYIFOSAGBG-UHFFFAOYSA-N 425.467 -0.628 50 10 IBGE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1303882976 MCRJXTJLVYMYFC-HZPDHXFCSA-N 425.530 -0.062 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1OC 1643364444 MWECTMLTTDNCEL-CZUORRHYSA-N 427.479 -0.647 50 10 IBGE Cn1cc(-c2cccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)cn1 765724165 IDCPSTABEGQIHX-UHFFFAOYSA-N 436.432 -0.705 50 10 IBGE Cc1nc(B(O)O)c(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)n1C 2362570194 VJGVEPOWJNDYLB-GFCCVEGCSA-N 428.176 -0.005 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C(C)(C)S(=O)(=O)C2CC2)CC1 1610948211 SPZCHIPUXUVCBQ-UHFFFAOYSA-N 445.567 -0.183 50 10 IBGE COCCCNC(=S)N(C)NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1290255772 FFARDHHSQFPBSK-AWEZNQCLSA-N 427.502 -0.398 50 10 IBGE CN(C)S(=O)(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1545430839 UHMALYYCGXBCNK-UHFFFAOYSA-N 446.961 -0.999 50 10 IBGE NS(=O)(=O)c1ccc(SCC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1 1652303532 AQSFTDDLSFTDNL-OAHLLOKOSA-N 428.536 -0.173 50 10 IBGE CC(=O)NS(=O)(=O)c1ccc(N/N=C2\C(=O)N(C[C@@H](C)O)C(=O)C(C#N)=C2C)cc1 12412633 PUTAZHZCMIEFFD-ICRFPGRDSA-N 433.446 -0.131 50 10 IBGE COc1ccc(Br)c(C(=O)NNC(=O)NCCNS(=O)(=O)N(C)C)c1 1635484078 GCJPZEIPNVZECI-UHFFFAOYSA-N 438.304 -0.202 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2cc(B(O)O)cs2)C1 2267613336 VOALPMFLMLVZPB-OAHLLOKOSA-N 440.308 -0.256 50 10 IBGE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)Cc1ncsc1B(O)O)NC(=O)OC(C)(C)C 2282743516 PYYDICCGNOXSKO-MGGBDBEPSA-N 441.362 -0.336 50 10 IBGE O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 755361562 KKVAAWZMPSCODC-ZDUSSCGKSA-N 448.885 -0.071 50 10 IBGE CN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)N(C(=O)OC(C)(C)C)CC1=O 1143106615 OBMLNZDXULVXMX-NSHDSACASA-N 439.494 -0.297 50 10 IBGE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NNC(=O)c1ncccn1 1584136156 LTYJPAOKEFAYCH-UHFFFAOYSA-N 448.505 -0.114 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2cc(B(O)O)nn2C)C[C@@H](C)N1C(=O)OCc1ccccc1 2282698328 AXCZARACVFGLMB-OKILXGFUSA-N 436.299 -0.480 50 10 IBGE O=C(N/N=C(\c1nc2ccccc2[nH]c1=O)[C@@H](O)[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 15774940 OLQGMYJHLBYMKJ-XGBVVXAISA-N 427.373 -0.321 50 10 IBGE Cn1cc(/C=C\C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 773410333 AMJSVBZZIHMQAJ-YXVBKTCISA-N 435.481 -0.108 50 10 IBGE CCOC(=O)C[C@H](O)C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1294602262 AGDFJCIQOAHYNI-INIZCTEOSA-N 426.901 -0.081 50 10 IBGE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1350714229 ATQLVZSEQYAHPI-AWEZNQCLSA-N 427.527 -0.248 50 10 IBGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 1627089082 VZUQPGZAJCRRKB-ZDUSSCGKSA-N 437.277 -0.001 50 10 IBGE OB(O)c1cnc(-n2cnc(I)c2I)nc1 2212594061 CZNZIBZBECFONB-UHFFFAOYSA-N 441.763 -0.449 50 10 IBGE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)N1CCC(Br)CC1 2258276174 ONYUFUCNVVNLRI-UHFFFAOYSA-N 446.364 -0.072 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(B(O)O)cs1)OCc1ccccc1 2267608455 WJJSLMJINRHYHE-HUUCEWRRSA-N 440.308 -0.210 50 10 IBGE O=C(N[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B(O)O)OCc1ccccc1 2255885240 MYLUNTIKFOARDW-CHWSQXEVSA-N 425.297 -0.300 50 10 IBGE C[C@H]1CCCN(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 740706264 UOWNETMNKWPOLO-AWEZNQCLSA-N 446.551 -0.081 50 10 IBGE C[C@@H](O)CN(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1450947495 QDUAKNGROQFIKB-CQSZACIVSA-N 439.538 -0.129 50 10 IBGE Cc1nn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)n1C 1465795854 PXPCZTFEPORTGS-UHFFFAOYSA-N 435.916 -0.491 50 10 IBGE CO[C@]1(NC(=O)CCl)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 39427840 IZXZJCSAJLWMHD-WCQYABFASA-N 434.887 -0.746 50 10 IBGE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 793221542 NLFCNGMNVRATQI-OAHLLOKOSA-N 446.508 -0.062 50 10 IBGE O=C(NNC(=O)[C@H]1CCc2nncn2C1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 814331040 WQXQAYACOVGKOP-GJZGRUSLSA-N 427.465 -0.149 50 10 IBGE C[C@H]1[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C 1313317031 VKEFZMBVXPFCDF-BBRMVZONSA-N 425.511 -0.256 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 1654295115 VUSUEXUXRHROCT-XCBNKYQSSA-N 433.284 -0.040 50 10 IBGE COC(=O)C1CC2(C1)C[C@H](NC(=O)NNC(=O)[C@H]1C[C@H]3CC[C@H]1O3)CCS2(=O)=O 1685668866 GUEDAJRFBLUIAG-MVAYHVCCSA-N 429.495 -0.217 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2c(B(O)O)cnn2C)C[C@@H](C)N1C(=O)OCc1ccccc1 2282706737 PTMRSWHABRUZIY-OKILXGFUSA-N 436.299 -0.480 50 10 IBGE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1 1084518505 CYEHDDSZFITVSL-UHFFFAOYSA-N 449.419 -0.142 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282357513 KUCLDXQDYJOAME-AWEZNQCLSA-N 440.736 -0.269 50 10 IBGE CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1cc(Br)cn1C 759508867 GBFOVRKSWCMATJ-UHFFFAOYSA-N 425.309 -0.436 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]cc2Cc2ccccc2)n(C)c1=O 1294587981 URMNJTZAFSJFMJ-UHFFFAOYSA-N 435.444 -0.186 50 10 IBGE COc1cc2c(cc1OC)CN(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)CC2 1292038401 FCZVZFHCOBDKPS-CQSZACIVSA-N 426.495 -0.421 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc4n3CCC4)CC2)cc1 1294587531 GROPVUGDDPHWGE-UHFFFAOYSA-N 446.533 -0.095 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nnc(C)s3)CC2)cc1 1545423821 CEOCMEWWDPHUNP-UHFFFAOYSA-N 438.535 -0.078 50 10 IBGE NS(=O)(=O)CCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1631014348 JALXLBASGYUEJV-UHFFFAOYSA-N 431.946 -0.326 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1636615481 OSFTXVCTBAEPHA-LLVKDONJSA-N 432.528 -0.734 50 10 IBGE C[C@H](C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1638811769 FUKASTPGWCTRFQ-FDFVQJQPSA-N 436.465 -0.306 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2282503727 FBPXOCPRPGWNET-OAHLLOKOSA-N 436.299 -0.573 50 10 IBGE COCCOCC(=O)NC1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1 1182157818 DSOLEWCXXMDDQN-VYMRPNJYSA-N 442.557 -0.029 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1COCCN1CC(F)F 1445564706 JKXCHNKWYBOCRR-MRXNPFEDSA-N 439.463 -0.442 50 10 IBGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1Br 1543093643 JBBBYIWYLVNJPI-SNVBAGLBSA-N 433.284 -0.261 50 10 IBGE CC(C)N1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H](c2cnn(C)c2)C1 1631030353 VDWXUBFMKKOYMI-PMPSAXMXSA-N 426.543 -0.249 50 10 IBGE COC(=O)[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1654138259 CFSXFRQRAGPAMF-OKILXGFUSA-N 425.463 -0.332 50 10 IBGE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1157588248 HXEJDZHAKQDWSG-CABCVRRESA-N 439.513 -0.092 50 10 IBGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ncc(Br)cc1B(O)O 2231671830 GIUQFOXRXLUYCR-SRVKXCTJSA-N 432.080 -0.723 50 10 IBGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)[C@@H](CO)C1 2282360143 YFQWFQUVNKWECL-SECBINFHSA-N 440.736 -0.316 50 10 IBGE COc1ccnc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)n1 729221205 KCUWRYCFBUKNJZ-UHFFFAOYSA-N 448.509 -0.045 50 10 IBGE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)[C@H]3COCCO3)c2)CC1 756358931 MTEYSEQTQOQZIA-MRXNPFEDSA-N 441.510 -0.419 50 10 IBGE CC(C)OCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765729510 CMYUNQJCTAUQTN-UHFFFAOYSA-N 428.449 -0.180 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2282359689 RKKWIDZCJKTJPT-VIFPVBQESA-N 443.114 -0.163 50 10 IBGE Cn1ncc(B(O)O)c1S(=O)(=O)N[C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2282509848 QDUWAEORADTSGT-SFHVURJKSA-N 436.299 -0.431 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CN(C)C3CCC3)CC2)cc1 1149621881 FGIWGRCGFSNBIW-UHFFFAOYSA-N 437.566 -0.067 50 10 IBGE O=C(c1cc(B(O)O)ccc1F)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1630886837 NZNXWGUEMOWKOB-UHFFFAOYSA-N 432.242 -0.472 50 10 IBGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ncc(B(O)O)s1 2108235475 XWNDVSPXVGIJRC-MRXNPFEDSA-N 441.271 -0.733 50 10 IBGE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282742532 DLUSISDBBUZTNR-BGGANLFTSA-N 439.346 -0.582 50 10 IBGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 745999372 WGXXLPINIWAZSG-MRXNPFEDSA-N 440.478 -0.648 50 10 IBGE O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)CCN1 748277318 SDAYRWXMQZCEQC-KRWDZBQOSA-N 444.469 -0.428 50 10 IBGE Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)CC(F)(F)F)c2ccccc2c1=O 1252761610 VBBXZYLOHLEUMU-UHFFFAOYSA-N 435.384 -0.145 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2COCCN2CC(F)(F)F)c1 1538535134 VYOBYHUAWCOUAB-ZDUSSCGKSA-N 438.428 -0.039 50 10 IBGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)ccc1=O 1636482630 OVUKTIKDEKPYND-UHFFFAOYSA-N 425.492 -0.474 50 10 IBGE C[C@H](NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282735248 XYVOZHJXOKHBPZ-QMMMGPOBSA-N 440.736 -0.270 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1641246979 NIYSCADNLLANHM-WRWORJQWSA-N 434.268 -0.384 50 10 IBGE Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c(B(O)O)n1C 2282351111 WORINQBYEVCTEH-HUUCEWRRSA-N 436.299 -0.514 50 10 IBGE O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 798314285 FFRHJEFYSGGPTI-GMTAPVOTSA-N 428.433 -0.011 50 10 IBGE COc1ccc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1S(=O)(=O)N(C)C 1456032890 XQLZSQSDOMNJPB-OAHLLOKOSA-N 440.522 -0.040 50 10 IBGE COc1cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc(Br)c1OC 169893179 MSFTTXPKNWTSRQ-YAXRCOADSA-N 427.215 -0.200 50 10 IBGE CCN1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1=O 802532154 IGKCRTYFHXRDTJ-AWEZNQCLSA-N 425.515 -0.735 50 10 IBGE COc1ccc(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 1130340287 WETQQGHJKMIQCE-UKRRQHHQSA-N 441.506 -0.169 50 10 IBGE Cn1cc(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)c(=O)n(C)c1=O 2196122494 OUDWXEGXURVXPR-BQBZGAKWSA-N 431.106 -0.385 50 10 IBGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2ccc(B(O)O)s2)C1 2267205121 OEVPGGHNABQGAN-AWEZNQCLSA-N 440.308 -0.256 50 10 IBGE O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1COCCO1 781994284 LUMWWAMCQOVPBX-XBFCOCLRSA-N 433.870 -0.973 50 10 IBGE COCCn1cc(N2C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC2=O)cn1 1131019656 KEFPTWPPCBMWHW-AWEZNQCLSA-N 436.513 -0.028 50 10 IBGE CN1C(=O)CO[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)[C@H]1c1cccnc1 1624038718 GYFFJIUMCGADEC-MSOLQXFVSA-N 436.428 -0.312 50 10 IBGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCCN1CCNCC1 2325517731 LVLWGCPWSYMTLL-UHFFFAOYSA-N 426.521 -0.038 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c2)C[C@@H](C)O1 1301697732 PGBJLLZRGWGLQO-TXEJJXNPSA-N 433.508 -0.710 50 10 IBGE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1585692057 FVYAZEBZEOHSRC-OAHLLOKOSA-N 425.511 -0.735 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cc3cc(Cl)ccc3[nH]2)n(C)c1=O 1630996391 FLNOPSIUGKTAFW-UHFFFAOYSA-N 443.851 -0.042 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2ccc(B(O)O)s2)C1 2267209447 WYNZLWYEQBWQDU-CQSZACIVSA-N 440.308 -0.256 50 10 IBGE CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CNC(=O)c3ccccc32)CC1 1648592638 IWBKBMSIJPEVLI-INIZCTEOSA-N 444.517 -0.012 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 1650867359 FYWAXZSEBYBNQD-JLTOFOAXSA-N 433.465 -0.158 50 10 IBGE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1652257979 IRNHDFIKORPLIB-LBPRGKRZSA-N 425.467 -0.359 50 10 IBGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2sc(B(O)O)cc2C1 2141426067 LPCMAMGHFVWNOQ-UHFFFAOYSA-N 434.304 -0.198 50 10 IBGE O=C(Cc1ccccc1S(=O)(=O)C(F)F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1597425804 IIUKIJANLXUTHX-SNVBAGLBSA-N 425.435 -0.257 50 10 IBGE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1597885496 HUXDVYBZYHBITE-LLVKDONJSA-N 441.348 -0.781 50 10 IBGE Cn1ncc(B(O)O)c1C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 2247748849 KIUUOYBGTUIZGO-UHFFFAOYSA-N 441.294 -0.752 50 10 IBGE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)Cc2ncsc2B(O)O)C1 2282742533 DLUSISDBBUZTNR-MGGBDBEPSA-N 439.346 -0.582 50 10 IBGE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 778554171 NMJSGBRTAHHTBB-CABCVRRESA-N 427.479 -0.100 50 10 IBGE O=C(CN1CCN(c2ncc(I)cn2)CC1)NNC(=O)C1CC1 1196716437 JRTCYDLPBUCCJK-UHFFFAOYSA-N 430.250 -0.239 50 10 IBGE O=C(NNC(=O)[C@@H]1CCc2nncn2CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1472474844 BGHWHCRSZBGHMU-CQSZACIVSA-N 448.505 -0.287 50 10 IBGE CN1CCN(C(=O)NNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1617831337 CYEDBAGDXQSBRG-UHFFFAOYSA-N 426.495 0.000 50 10 IBGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC[C@@H]3CCOC3=O)nc2)CC1 1687494497 JXKRXWMANBZAEM-CQSZACIVSA-N 440.526 -0.013 50 10 IBGE COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC 796130492 YVVLRSOWFAGXDB-CQSZACIVSA-N 428.511 -0.179 50 10 IBGE CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1139092519 INSVVSIHYGSSPH-AWEZNQCLSA-N 426.518 -0.262 50 10 IBGE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1456039835 UVISPTNBWBPLAO-UONOGXRCSA-N 428.486 -0.157 50 10 IBGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1639935296 TXCRWTRJVPXBSZ-VNHYZAJKSA-N 441.506 -0.199 50 10 IBGE O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1650867305 FQJCFDYKNRFSNI-QGZVFWFLSA-N 441.444 -0.004 50 10 IBGE CCOC(=O)C1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCOCC1 803830377 NZNVPOXQZQLWRD-HNNXBMFYSA-N 436.417 -0.123 50 10 IBGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 810469336 KPSKFGOALVORSM-PLNGDYQASA-N 434.478 -0.840 50 10 IBGE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(S(=O)(=O)CBr)CC1 1566973222 BKAUKPPDZDDTFY-BUHFOSPRSA-N 435.300 -0.271 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(=O)cc[nH]1 1628671887 QYWOYLSRBLVCGQ-UHFFFAOYSA-N 434.474 -0.210 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1 1639068711 MDZOVBGNQHVXPE-NVXWUHKLSA-N 440.570 -0.420 50 10 IBGE O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1COCCO1 744652276 GJBUTBNSQMBUFF-LBPRGKRZSA-N 436.284 -0.320 50 10 IBGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)C2)CC1 805165478 KJFGSJLKFNBIFC-CABCVRRESA-N 427.502 -0.230 50 10 IBGE Cc1cncc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 1683947000 YGOAULPRFHGLLM-UHFFFAOYSA-N 434.526 -0.015 50 10 IBGE O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 764344961 MMEZKTNBEQQQDC-MRXNPFEDSA-N 431.474 -0.188 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnc3n2CCC3)cc1 783527075 WBAJRFIBKPWXCO-UHFFFAOYSA-N 427.508 -0.232 50 10 IBGE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 1641668063 ZIGRVLBVAPJPDD-MKHNBGRSSA-N 425.385 -0.836 50 10 IBGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(B(O)O)s1 2046026748 UWAMTRZJILICAO-HNNXBMFYSA-N 427.244 -0.411 50 10 IBGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2187578321 OSFJXXBXLHQYQB-LOWDOPEQSA-N 425.935 -0.533 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN(C)Cc3nnc(C)n3C)CC2)cc1 766647862 FFGVCYSSPXUYIE-UHFFFAOYSA-N 442.568 -0.171 50 10 IBGE O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 816884838 KHFGXCCUBPCXIG-HNNXBMFYSA-N 426.481 -0.488 50 10 IBGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@]12COCCN1C(=O)OC2 1687372627 DDHVNGXWTPBWGF-NRFANRHFSA-N 446.508 -0.250 50 10 IBGE CC(N)=C(C#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2053515326 OQYLIESPWVBLJS-SMDDNHRTSA-N 438.418 -0.413 50 10 IBGE COCC[C@H](COC)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812574789 GILSQUYTIKFFPV-CQSZACIVSA-N 430.531 -0.305 50 10 IBGE COCCOCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1170320327 JUQRCUHDTRVXJV-UHFFFAOYSA-N 435.886 -0.215 50 10 IBGE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1135417287 XZUIPCZFPKNBDK-BXUZGUMPSA-N 425.511 -0.204 50 10 IBGE CN(C)N(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1642080682 XOPOPUMEAWTHPJ-GXTWGEPZSA-N 439.943 -0.529 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC[C@@H]2CC(=O)N(C)C2)cc1 1676119122 VNLXCTNUGAQCTF-CQSZACIVSA-N 425.511 -0.186 50 10 IBGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 728509274 AYHDAZOTPHEFHA-ZETCQYMHSA-N 430.302 -0.295 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncccc2C(F)(F)F)n(C)c1=O 770787312 DTUBQLQHTQWIBI-UHFFFAOYSA-N 425.327 -0.691 50 10 IBGE CSCC[C@@H](O)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1137298813 CIIBGEPLYKEPMX-MRXNPFEDSA-N 444.579 -0.437 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1168868455 CVCQBZDEQABSMQ-UHFFFAOYSA-N 439.462 -0.443 50 10 IBGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccc(B(O)O)c2)C1 1558284267 ZEOIFLAXYSXQLY-HNNXBMFYSA-N 426.300 -0.480 50 10 IBGE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC(=O)NNC(=O)c2ccc(C#N)cc2)cn1 1620584097 HDXOSMPWTGSHNX-KRWDZBQOSA-N 430.490 -0.085 50 10 IBGE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1633925613 NOWRWKZWNDKMBR-NWDGAFQWSA-N 432.499 -0.348 50 10 IBGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(B(O)O)cc1)OCc1ccccc1 2282079060 QWJOYQHUISXTHH-QZTJIDSGSA-N 434.279 -0.271 50 10 IBGE O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)[C@@H]1COCCO1 744647569 LWPLAHUQPYRCHE-INIZCTEOSA-N 426.495 -0.019 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cc2ccccc2o1 750284132 CODULCHRVJNYOG-UHFFFAOYSA-N 437.478 -0.018 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C=O)n(C)c3)CC2)cc1 1294588043 XIYYQUWIWPILCJ-UHFFFAOYSA-N 447.517 -0.086 50 10 IBGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc2)C[C@H](C)O1 1557735346 WSSHEHZDKPTTME-RYUDHWBXSA-N 433.508 -0.710 50 10 IBGE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)[C@@H]1COCCO1 771003215 HFPOGICJTVBLDA-CABZTGNLSA-N 425.385 -0.065 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)/C=C\c2ccccc2F)n(C)c1=O 799922164 DGDHKNPFUBRZIQ-FPLPWBNLSA-N 436.425 -0.806 50 10 IBGE CC1=C(C(=O)N2CCN(S(=O)(=O)CBr)CC2)[C@@H](C)n2nnnc2N1C 1137882020 JAKNOTUZDGHRIZ-SNVBAGLBSA-N 434.320 -0.216 50 10 IBGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCC3(CC3)S2(=O)=O)c1 1290040774 PSEDHZFHLIAFCT-UHFFFAOYSA-N 444.535 -0.344 50 10 IBGE CC1=NS(=O)(=O)N(C)C=C1C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1440332219 QPFPANBUNMRSDO-UHFFFAOYSA-N 428.496 -0.416 50 10 IBGE COc1ccc(/C=C(\C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 755517639 PZZVVDMLKMRIBF-YRNVUSSQSA-N 444.423 -0.168 50 10 IBGE Cc1cnc(N)c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 773234628 ZFFHCROVROLGMT-UHFFFAOYSA-N 432.506 -0.260 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1182609381 LWCIEVWHXFXSOQ-SECBINFHSA-N 444.311 -0.158 50 10 IBGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc(I)c(O)c1 1457616909 ICXXOPZBUXGYSG-YFKPBYRVSA-N 428.208 -0.910 50 10 IBGE CO[C@@H]1CCn2cc(C(=O)NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)nc2C1 1160865233 KQEBYPGGECMYAW-CQSZACIVSA-N 449.537 -0.068 50 10 IBGE CCc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1 1470661015 IEOPZKAJSNHRIF-UHFFFAOYSA-N 433.508 -0.925 50 10 IBGE CC(C)OC(=O)NN(C(=O)OC(C)C)[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@H](O)[C@H]1O 1616172844 SNYDUHOVQJAAFL-ZZVYKPCYSA-N 430.458 -0.707 50 10 IBGE Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCc4nnc(O)n4C3)CC2)cc1 1629797509 TUZVBCLBHOMGIU-KRWDZBQOSA-N 427.509 -0.180 50 10 IBGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H]([S@](C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 1848435078 XSLGFIQRVCXUEU-UVEQXGHXSA-N 440.990 -0.595 50 10 IBGE CO[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@H]1NC(=O)OC(C)(C)C 2282731851 XIIFFMVDNGFPEJ-ZJUUUORDSA-N 440.736 -0.006 50 10 IBGE O=C(NNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1COCCO1 746003561 PWXYPRFINGAEFM-CQSZACIVSA-N 432.886 -0.198 50 10 IBGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 792985161 JGBITTGHFYUZIO-GOSISDBHSA-N 448.524 -0.350 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cncc(O)c3)CC2)cc1 1137299229 NUZQMQWNYPWXQC-UHFFFAOYSA-N 447.517 -0.208 50 10 IBGE O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCCCC(=O)C1=O 1294587908 RIJHORIWOVUVTL-UHFFFAOYSA-N 429.477 -0.827 50 10 IBGE COC(=O)[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC12CN(C(=O)OC(C)(C)C)C2 1456299099 YSVMMIYCNHLELC-AWEZNQCLSA-N 436.245 -0.012 50 10 IBGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)/C=C/c3cn(C)cn3)CC2)cc1 1587963934 NGRLERKKXANDGJ-VMPITWQZSA-N 446.533 -0.104 50 10 IBGE C[C@@H](O)CN(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1625937391 FVQKQSYZDOUJHB-RISCZKNCSA-N 441.959 -0.235 50 10 IBGE O=C(CCNNC(=O)C(=O)NNCCC(=O)NCc1ccccc1)NCc1ccccc1 31283551 VVSRWRWIBRDYPQ-UHFFFAOYSA-N 440.504 -0.359 50 10 IBGE CN(NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704204 LGNHHLFFVRGUEZ-UHFFFAOYSA-N 426.474 -0.048 50 10 IBGE CCn1ncc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 815827278 RYUFRZLABFQZLL-UHFFFAOYSA-N 435.510 -0.626 50 10 IBGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2282359094 JHMFECMVLDVSFD-PSASIEDQSA-N 440.736 -0.413 50 10 IBGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282359368 MSMWLUHKBAGHHB-RKDXNWHRSA-N 440.736 -0.270 50 10 IBGE Cc1nn(C)c(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1B(O)O 2282392590 YTWNFMZAWMLZJI-LBPRGKRZSA-N 428.176 -0.005 50 10 IBGE Cn1cc(/C=C\C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O 809718401 UBZBWGMFIJDOIN-HJWRWDBZSA-N 440.504 -0.543 50 10 IBGE C[C@@H](NC(=O)Cn1cnnn1)C(=O)NNC(=S)Nc1cccc(Br)c1 1135744847 UEIYFMCLMUMRRA-MRVPVSSYSA-N 427.288 -0.042 50 10 IBGE COCCO[C@@H](C)C(=O)NNC(=O)NCCNC(=O)c1ccc(Br)cn1 1565059104 KTDIQCJRLJXBMH-JTQLQIEISA-N 432.275 -0.044 50 10 IBGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 1872962850 XMDMIQKRPCVAEI-OAGGEKHMSA-N 449.533 -0.201 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cn3cccn3)cc2)n(C)c1=O 765721702 FRTKHFLFENDNNQ-UHFFFAOYSA-N 436.432 -0.860 50 10 IBGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c1 1455411437 JGKMDEAGAIYAAV-LBPRGKRZSA-N 430.508 -0.285 50 10 IBGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccnn2)cc1 1536589792 CSBKJMMOGBZNIV-UHFFFAOYSA-N 437.478 -0.165 50 10 IBGE CCOC(=O)C[C@H](O)C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1545430979 YQZYXIRRGCDYLL-INIZCTEOSA-N 426.901 -0.081 50 10 IBGE CN1CCN(C(=O)NNC(=O)Cn2nc(Br)c(Br)n2)CC1 1639494429 KDZFKOJTWVGYMD-UHFFFAOYSA-N 425.085 -0.209 50 10 IBGE CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Cl 1080323672 GLSULVMWECMEQP-CQSZACIVSA-N 430.873 -0.138 50 10 IBGE COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 1460041836 WGMCLOYBHDNTRL-GDBMZVCRSA-N 425.482 -0.189 50 10 IBGE O=C(NNC(=O)N1CCOCC1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1598013552 AYUFIAQGNLKWDH-UHFFFAOYSA-N 432.524 -0.172 50 10 IBGE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c1 745979456 RAUYRUMSMIPTKF-MUBLQREKSA-N 430.435 -0.385 50 10 IBGE Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccc(F)c(Cl)c2)n(C)c1=O 765726650 DIOURNTUQRAXEX-UHFFFAOYSA-N 438.803 -0.547 50 10 IBGE Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)ccc1=O 1456588859 CUJSEUXBZNHQPQ-HIFRSBDPSA-N 438.437 -0.891 50 10 IBGE CS(=O)(=O)CC(=O)NNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 1642619686 OPDPCWJYPWYTFN-UHFFFAOYSA-N 427.298 -0.444 50 10 IBGE Cn1nc(B(O)O)cc1S(=O)(=O)NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2282073185 COQHXCHWCPDCIX-FVRSWCFKSA-N 434.283 -0.774 50 10 IBGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2ccccc2B(O)O)C1 2282719724 PSGHDHSTLBADSZ-INIZCTEOSA-N 434.279 -0.318 50 10 IBGE O=C(Cc1ccccn1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 729664655 USCFFPBMRJCUMG-UHFFFAOYSA-N 440.503 -0.345 50 10 IBGE O=C(NNC(=O)c1csc(I)n1)N[C@H]1CCS(=O)(=O)C1 1136390024 QUIUPKHVFWGZCH-YFKPBYRVSA-N 430.249 -0.121 50 10 IBGE COc1ccc(Cl)cc1C(=O)NNC(=O)CN1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C 1198572303 CWTPHVSXYTYJCM-AWEZNQCLSA-N 449.899 -0.018 50 10 IBGE CN(C)S(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(F)cc1Br 1682552509 FWRMUOQLXRSPBY-UHFFFAOYSA-N 426.268 -0.072 50 10 IBGE Cn1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)n1 2255591528 VFSLXRHJGYBMSU-UHFFFAOYSA-N 444.297 -0.276 50 10 IBGE O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 814281652 UJGUAQKJHAYYNB-SFHVURJKSA-N 426.525 -0.011 50 10 IBGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)c1ccc(B(O)O)cc1 1137304158 JKNYTOMUIDWJOS-UHFFFAOYSA-N 430.701 -0.401 50 10 IBGE CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H]1C[C@H]1F)c(=O)n2Cc1ccccc1 1463947103 AFHNLIQKZDJRFZ-ZIAGYGMSSA-N 428.424 -0.067 50 10 IBGE CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1638659569 KZIGIQQPPWKXRZ-HZPDHXFCSA-N 442.494 -0.545 50 10 IBGE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 807378691 JZIRBEDGMRTYBL-AWEZNQCLSA-N 428.515 -0.320 50 10 IBGE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 744642645 KTWJSFWUMKRPQV-GJZGRUSLSA-N 431.536 -0.042 50 10 IBGE CCc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1C(C)(C)C 766634305 FXLUNODRMVOGCX-UHFFFAOYSA-N 430.469 -0.591 50 10 IBGE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1300386351 BCVNEPVZIHZSII-MRVWCRGKSA-N 425.463 -0.159 50 10 IBGE CS(=O)(=O)N1CCC(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1540254480 WCGDNTHCDAJLPY-UHFFFAOYSA-N 431.540 -0.198 50 10 IBGE C=CC(=O)N(C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1630996637 OLWXBOYXPZZAJG-UHFFFAOYSA-N 437.522 -0.907 50 10 IBGE CN1CCN(Cc2c(C(=O)NN=Cc3ccc(O)cc3O)nnn2-c2nonc2N)CC1 254305719 LQUHFWGSFGDXSU-UHFFFAOYSA-N 442.440 -0.845 50 10 IBGE COC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 727292853 JSBYRCVKSAAOSX-JKSUJKDBSA-N 439.490 -0.403 50 10 IBGE CC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215871 KPFQZMCNJBDHJN-MRXNPFEDSA-N 427.552 -0.013 50 10 IBGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c[nH]c2ccc(Br)cc2c1=O 769927146 NBIXHIGEGMRTSD-SSDOTTSWSA-N 431.268 -0.011 50 10 IBGE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 805067811 FHEPJUMZJCXLMQ-HNNXBMFYSA-N 439.542 -0.210 50 10 IBGE COc1cc(OC)cc(C(=O)NNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 806036537 FMGKBTHAEZAOJY-CYBMUJFWSA-N 429.499 -0.081 50 10 IBGE COC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 1349691708 CFPBFTSHFMCNQG-GOSISDBHSA-N 445.520 -0.242 50 10 IBGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(Br)c1 1558927606 CXXPDIYSVBCJCM-QPUJVOFHSA-N 435.300 -0.289 50 10 IBGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)Cc1ncsc1B(O)O)C(F)(F)F 2282736939 XOHNHFZZLIYHIB-MRVPVSSYSA-N 433.239 -0.302 50 10 IBGE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C[C@H](C)O)CC2)cc1 1570116408 YEPIKBJZUWJHCT-HNNXBMFYSA-N 442.538 -0.348 50 10 IBGE O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C1=CCS(=O)(=O)C1 1587985880 TYSISNOZXOVKCK-UHFFFAOYSA-N 426.926 -0.040 50 10 IBGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)NC[C@H]1COCO1 1313189083 JCYLXCOMXIPOAM-HNNXBMFYSA-N 442.494 -0.657 50 10 IBGE COC(=O)c1cccn(CC(=O)N2CCN(S(=O)(=O)CBr)CC2)c1=O 1446954019 DREICTWIAXPNPK-UHFFFAOYSA-N 436.284 -0.539 50 10 IBGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 1608452587 AKPNZUJGMZPZMT-AWEZNQCLSA-N 446.551 -0.565 50 10 IBGE O=C(CI)NCCOCCOCCC(=O)ON1C(=O)CCC1=O 2060423956 XJUOHDVUZJTLFL-UHFFFAOYSA-N 442.206 -0.432 50 10 IBGE O=C(OCc1ccccc1)N1CC(NS(=O)(=O)c2c(F)cc(F)cc2B(O)O)C1 2267382697 OTTNQQUVTUKJEI-UHFFFAOYSA-N 426.206 -0.056 50 10 IBGE